3-Chloro-propane-1-sulfonic acid tert-butylamide

C₇H₁₆ClNO₂SCAS 63132-85-4213.72 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonamide

Properties

Molecular formula: C₇H₁₆ClNO₂S
Molar mass: 213.72 g/mol
Exact mass: 213.0590 Da
logP: 1.33Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

63132-85-4

SMILES

CC(C)(C)NS(=O)(=O)CCCCl

InChIKey

SPGDRXRIVPMUCK-UHFFFAOYSA-N

InChI

InChI=1S/C7H16ClNO2S/c1-7(2,3)9-12(10,11)6-4-5-8/h9H,4-6H2,1-3H3

Weigh it out

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Names and synonyms

1 names

N-tert-Butyl-3-chloropropane-1-sulfonamide

Work with 3-Chloro-propane-1-sulfonic acid tert-butylamide

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

Similar compounds

1-Chloro-3-methanesulfonyl-propane54533-11-842 % similar 3-Chloropropanesulfonyl chloride1633-82-539 % similar N-tert-Butyl-1-methylcyclopropane-1-sulfonamide669008-25-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

S-tert-Butyl-L-cysteine hydrochloride2481-09-6 L-Methionine O-ethyl ester hydrochloride2899-36-7 H-D-Met-oet hcl7512-43-8

Elsewhere

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