2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

C18H24N2O3S — CID 86809245

IUPAC2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESO=C(NC1CCCC1)C1C2CCC(C2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24N2O3S/c21-18(19-14-6-4-5-7-14)17-13-10-11-15(12-13)20(17)24(22,23)16-8-2-1-3-9-16/h1-3,8-9,13-15,17H,4-7,10-12H2,(H,19,21)
InChIKeyRQGGTHLYYOSNLT-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.29
Rot. Bonds4

About 2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 86809245) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID86809245
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESO=C(NC1CCCC1)C1C2CCC(C2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24N2O3S/c21-18(19-14-6-4-5-7-14)17-13-10-11-15(12-13)20(17)24(22,23)16-8-2-1-3-9-16/h1-3,8-9,13-15,17H,4-7,10-12H2,(H,19,21)
InChIKeyRQGGTHLYYOSNLT-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of 2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 86809245) is 2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is O=C(NC1CCCC1)C1C2CCC(C2)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is RQGGTHLYYOSNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c21-18(19-14-6-4-5-7-14)17-13-10-11-15(12-13)20(17)24(22,23)16-8-2-1-3-9-16/h1-3,8-9,13-15,17H,4-7,10-12H2,(H,19,21).
What are the key properties of 2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 86809245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).