5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide

C15H22N2O2S2 — CID 106268653

IUPAC5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide
SMILESCC(C)CC1(CNS(=O)(=O)c2ccc(C#N)s2)CCCC1
InChIInChI=1S/C15H22N2O2S2/c1-12(2)9-15(7-3-4-8-15)11-17-21(18,19)14-6-5-13(10-16)20-14/h5-6,12,17H,3-4,7-9,11H2,1-2H3
InChIKeyVMYIXRIDSFWCNV-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.50
Rot. Bonds6

About 5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide

5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide (PubChem CID 106268653) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide
PubChem CID106268653
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC Name5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide
SMILESCC(C)CC1(CNS(=O)(=O)c2ccc(C#N)s2)CCCC1
InChIInChI=1S/C15H22N2O2S2/c1-12(2)9-15(7-3-4-8-15)11-17-21(18,19)14-6-5-13(10-16)20-14/h5-6,12,17H,3-4,7-9,11H2,1-2H3
InChIKeyVMYIXRIDSFWCNV-UHFFFAOYSA-N
XLogP3.50
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide (CID 106268653) is 5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide is CC(C)CC1(CNS(=O)(=O)c2ccc(C#N)s2)CCCC1.
What is the InChIKey of 5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide?
The InChIKey is VMYIXRIDSFWCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-12(2)9-15(7-3-4-8-15)11-17-21(18,19)14-6-5-13(10-16)20-14/h5-6,12,17H,3-4,7-9,11H2,1-2H3.
What are the key properties of 5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide?
5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide has a molecular weight of 326.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[[1-(2-methylpropyl)cyclopentyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106268653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).