Thiomorpholine 1,1-dioxide

C₄H₉NO₂SCAS 39093-93-1135.18 g/mol

Open in Covalent MOL file

Secondary amine Sulfone

Properties

Molecular formula: C₄H₉NO₂S
Molar mass: 135.18 g/mol
Exact mass: 135.0354 Da
pKa: 5.4
logP: -1.00Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

39093-93-1

SMILES

C1CS(=O)(=O)CCN1

InChIKey

NDOVLWQBFFJETK-UHFFFAOYSA-N

InChI

InChI=1S/C4H9NO2S/c6-8(7)3-1-5-2-4-8/h5H,1-4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Thiomorpholine-1,1-dioxide

Work with Thiomorpholine 1,1-dioxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Thiomorpholine 1,1-dioxide hydrochloride59801-62-6Salt

Similar compounds

Sulfolane126-33-047 % similar Oxathiane 4,4-dioxide107-61-940 % similar Propyl sulfone598-03-840 % similar Taurultam38668-01-839 % similar Sodium 5-amino-3-azapentane-1-sulfonate34730-59-138 % similar 1,1-Dioxo-tetrahydro-thiopyran-4-one17396-35-936 % similar 1,1′-Sulfonylbis[butane]598-04-936 % similar 4-(2-Aminoethyl)thiomorpholine 1,1-dioxide89937-52-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

S-Methylcysteine1187-84-4 Homocysteine454-29-5 L-Homocysteine6027-13-0 1-Methylcyclopropanesulfonamide669008-26-8

Elsewhere

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