N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide

C15H24N4O2S — CID 136588398

IUPACN-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide
SMILESO=S(=O)(N[C@]12CCC[C@H]1CNC2)c1ccnn1CC1CCC1
InChIInChI=1S/C15H24N4O2S/c20-22(21,18-15-7-2-5-13(15)9-16-11-15)14-6-8-17-19(14)10-12-3-1-4-12/h6,8,12-13,16,18H,1-5,7,9-11H2/t13-,15-/m0/s1
InChIKeyYZPKHEITSXQXOD-ZFWWWQNUSA-N
MW324.45 g/mol
LogP1.10
Rot. Bonds5

About N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide

N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide (PubChem CID 136588398) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide
PubChem CID136588398
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide
SMILESO=S(=O)(N[C@]12CCC[C@H]1CNC2)c1ccnn1CC1CCC1
InChIInChI=1S/C15H24N4O2S/c20-22(21,18-15-7-2-5-13(15)9-16-11-15)14-6-8-17-19(14)10-12-3-1-4-12/h6,8,12-13,16,18H,1-5,7,9-11H2/t13-,15-/m0/s1
InChIKeyYZPKHEITSXQXOD-ZFWWWQNUSA-N
XLogP1.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide?
The IUPAC name of N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide (CID 136588398) is N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide.
What is the SMILES notation for N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide?
The canonical SMILES for N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide is O=S(=O)(N[C@]12CCC[C@H]1CNC2)c1ccnn1CC1CCC1.
What is the InChIKey of N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide?
The InChIKey is YZPKHEITSXQXOD-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H24N4O2S/c20-22(21,18-15-7-2-5-13(15)9-16-11-15)14-6-8-17-19(14)10-12-3-1-4-12/h6,8,12-13,16,18H,1-5,7,9-11H2/t13-,15-/m0/s1.
What are the key properties of N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide?
N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-2-(cyclobutylmethyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 136588398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).