chempirical

(3S,3As,6ar)-3-isopropyl-1-(methanesulfonyl)-4-[4-(1-piperidinyl)-2(E)-butenoyl]perhydropyrrolo[3,2B]pyrrol-2(1H)-one hydrochloride

C19H32ClN3O4SCAS 197090-44-1433.99 g/mol

Open in Covalent MOL file
NONNOSOOHCl
AlkeneAmideLactamSulfonamideTertiary amine

Properties

Molecular formula
C19H32ClN3O4S
Molar mass
433.99 g/mol
Exact mass
433.1802 Da
logP
1.49Crippen estimate
Polar surface area
78.0 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5
Stereocentres
S, Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

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
197090-44-1
SMILES
CC(C)[C@H]1[C@H]2C(CCN2C(=O)/C=C/CN3CCCCC3)N(C1=O)S(=O)(=O)C.Cl
InChIKey
UFCZUKYPBPXODT-OUMMUYCFSA-N
InChI
InChI=1S/C19H31N3O4S.ClH/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20;/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3;1H/b8-7+;/t15?,17-,18+;/m0./s1

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Names and synonyms

1 names
  • GW311616A hydrochloride

Work with (3S,3As,6ar)-3-isopropyl-1-(methanesulfonyl)-4-[4-(1-piperidinyl)-2(E)-butenoyl]perhydropyrrolo[3,2B]pyrrol-2(1H)-one hydrochloride

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

4-(1-Piperidinyl)-2-(E)-butenoicacid hydrochloride197892-69-634 % similar

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

Elsewhere

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