2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide

C15H20N2O3S — CID 115561059

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(C(=O)N2CC3CCCC3C2)c1
InChIInChI=1S/C15H20N2O3S/c1-10-5-6-14(21(16,19)20)13(7-10)15(18)17-8-11-3-2-4-12(11)9-17/h5-7,11-12H,2-4,8-9H2,1H3,(H2,16,19,20)
InChIKeyWTCFPBNBAWQTHS-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.51
Rot. Bonds2

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide (PubChem CID 115561059) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide
PubChem CID115561059
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(C(=O)N2CC3CCCC3C2)c1
InChIInChI=1S/C15H20N2O3S/c1-10-5-6-14(21(16,19)20)13(7-10)15(18)17-8-11-3-2-4-12(11)9-17/h5-7,11-12H,2-4,8-9H2,1H3,(H2,16,19,20)
InChIKeyWTCFPBNBAWQTHS-UHFFFAOYSA-N
XLogP1.51
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide (CID 115561059) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC3CCCC3C2)c1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide?
The InChIKey is WTCFPBNBAWQTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-5-6-14(21(16,19)20)13(7-10)15(18)17-8-11-3-2-4-12(11)9-17/h5-7,11-12H,2-4,8-9H2,1H3,(H2,16,19,20).
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 115561059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).