5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide

C14H20N2O2S2 — CID 106268641

IUPAC5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)CN(C1CCCC1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C14H20N2O2S2/c1-11(2)10-16(12-5-3-4-6-12)20(17,18)14-8-7-13(9-15)19-14/h7-8,11-12H,3-6,10H2,1-2H3
InChIKeyUPPZZWVVCCCQGN-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.21
Rot. Bonds5

About 5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide

5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide (PubChem CID 106268641) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide
PubChem CID106268641
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC Name5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)CN(C1CCCC1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C14H20N2O2S2/c1-11(2)10-16(12-5-3-4-6-12)20(17,18)14-8-7-13(9-15)19-14/h7-8,11-12H,3-6,10H2,1-2H3
InChIKeyUPPZZWVVCCCQGN-UHFFFAOYSA-N
XLogP3.21
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid
CID 106265415
3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide
CID 78982763
5-[cyclopropyl(2-methylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270793
5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114166213
5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 114166157
5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 106269281
5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide
CID 106267859
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide
CID 106272763
5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106273103
5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 106267582
5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267892

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide (CID 106268641) is 5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide is CC(C)CN(C1CCCC1)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide?
The InChIKey is UPPZZWVVCCCQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c1-11(2)10-16(12-5-3-4-6-12)20(17,18)14-8-7-13(9-15)19-14/h7-8,11-12H,3-6,10H2,1-2H3.
What are the key properties of 5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide?
5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide has a molecular weight of 312.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106268641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).