5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide

C13H18N2O2S2 — CID 106269784

IUPAC5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCC2CCCC2)s1
InChIInChI=1S/C13H18N2O2S2/c14-10-12-7-8-13(18-12)19(16,17)15-9-3-6-11-4-1-2-5-11/h7-8,11,15H,1-6,9H2
InChIKeyLDNMHGQORYPXMX-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.87
Rot. Bonds6

About 5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide

5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide (PubChem CID 106269784) has the molecular formula C13H18N2O2S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide
PubChem CID106269784
Molecular FormulaC13H18N2O2S2
Molecular Weight298.43 g/mol
Exact Mass298.08
IUPAC Name5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCC2CCCC2)s1
InChIInChI=1S/C13H18N2O2S2/c14-10-12-7-8-13(18-12)19(16,17)15-9-3-6-11-4-1-2-5-11/h7-8,11,15H,1-6,9H2
InChIKeyLDNMHGQORYPXMX-UHFFFAOYSA-N
XLogP2.87
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyano-N-(cyclopentylmethyl)thiophene-2-sulfonamide
CID 106267298
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-(3-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 114166224
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639
5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 106267926
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-cyano-N-[(2-hydroxycyclopentyl)methyl]thiophene-2-sulfonamide
CID 106268476
5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106428781
5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
CID 106267728
5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
CID 55026778
5-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
CID 106268267
5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide
CID 114137199

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide (CID 106269784) is 5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCCCC2CCCC2)s1.
What is the InChIKey of 5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide?
The InChIKey is LDNMHGQORYPXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S2/c14-10-12-7-8-13(18-12)19(16,17)15-9-3-6-11-4-1-2-5-11/h7-8,11,15H,1-6,9H2.
What are the key properties of 5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide?
5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide has a molecular weight of 298.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106269784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).