(R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide

C18H26BrClN2OS2 — CID 158215203

IUPAC(R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@](C)(CCC1(C#N)CCCC1)c1sc(Br)cc1Cl
InChIInChI=1S/C18H26BrClN2OS2/c1-16(2,3)25(23)22-17(4,15-13(20)11-14(19)24-15)9-10-18(12-21)7-5-6-8-18/h11,22H,5-10H2,1-4H3/t17-,25+/m0/s1
InChIKeyGSCZVNZCFQYLNN-SSOJOUAXSA-N
MW465.91 g/mol
LogP6.30
Rot. Bonds6

About (R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 158215203) has the molecular formula C18H26BrClN2OS2 and a molecular weight of 465.91 g/mol. Its IUPAC name is (R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID158215203
Molecular FormulaC18H26BrClN2OS2
Molecular Weight465.91 g/mol
Exact Mass464.04
IUPAC Name(R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@](C)(CCC1(C#N)CCCC1)c1sc(Br)cc1Cl
InChIInChI=1S/C18H26BrClN2OS2/c1-16(2,3)25(23)22-17(4,15-13(20)11-14(19)24-15)9-10-18(12-21)7-5-6-8-18/h11,22H,5-10H2,1-4H3/t17-,25+/m0/s1
InChIKeyGSCZVNZCFQYLNN-SSOJOUAXSA-N
XLogP6.30
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.91
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide (CID 158215203) is (R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@](C)(CCC1(C#N)CCCC1)c1sc(Br)cc1Cl.
What is the InChIKey of (R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is GSCZVNZCFQYLNN-SSOJOUAXSA-N. The full InChI is InChI=1S/C18H26BrClN2OS2/c1-16(2,3)25(23)22-17(4,15-13(20)11-14(19)24-15)9-10-18(12-21)7-5-6-8-18/h11,22H,5-10H2,1-4H3/t17-,25+/m0/s1.
What are the key properties of (R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 465.91 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2S)-2-(5-bromo-3-chlorothiophen-2-yl)-4-(1-cyanocyclopentyl)butan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 158215203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).