2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide

C15H18N2O2S2 — CID 61208189

IUPAC2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1cc2c(s1)CCC2
InChIInChI=1S/C15H18N2O2S2/c1-16-21(18,19)15-8-3-2-6-13(15)17-10-12-9-11-5-4-7-14(11)20-12/h2-3,6,8-9,16-17H,4-5,7,10H2,1H3
InChIKeyCPQTVNXNLQHGBG-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.76
Rot. Bonds5

About 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide

2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide (PubChem CID 61208189) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide
PubChem CID61208189
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1cc2c(s1)CCC2
InChIInChI=1S/C15H18N2O2S2/c1-16-21(18,19)15-8-3-2-6-13(15)17-10-12-9-11-5-4-7-14(11)20-12/h2-3,6,8-9,16-17H,4-5,7,10H2,1H3
InChIKeyCPQTVNXNLQHGBG-UHFFFAOYSA-N
XLogP2.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide (CID 61208189) is 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCc1cc2c(s1)CCC2.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide?
The InChIKey is CPQTVNXNLQHGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-16-21(18,19)15-8-3-2-6-13(15)17-10-12-9-11-5-4-7-14(11)20-12/h2-3,6,8-9,16-17H,4-5,7,10H2,1H3.
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide?
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide has a molecular weight of 322.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 61208189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).