(1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

C13H22N2O3S — CID 124868789

IUPAC(1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESCS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NC1CCCC1
InChIInChI=1S/C13H22N2O3S/c1-19(17,18)15-11-7-6-9(8-11)12(15)13(16)14-10-4-2-3-5-10/h9-12H,2-8H2,1H3,(H,14,16)/t9-,11-,12-/m0/s1
InChIKeyUIJOAFFZIWUOKS-DLOVCJGASA-N
MW286.40 g/mol
LogP0.86
Rot. Bonds3

About (1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

(1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 124868789) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is (1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID124868789
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name(1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESCS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NC1CCCC1
InChIInChI=1S/C13H22N2O3S/c1-19(17,18)15-11-7-6-9(8-11)12(15)13(16)14-10-4-2-3-5-10/h9-12H,2-8H2,1H3,(H,14,16)/t9-,11-,12-/m0/s1
InChIKeyUIJOAFFZIWUOKS-DLOVCJGASA-N
XLogP0.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 51073855
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63764039
(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 66778131
N-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103759905
N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3563261
(1S,3R)-2-(4-butoxyphenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 89372918
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of (1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 124868789) is (1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for (1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for (1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is CS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NC1CCCC1.
What is the InChIKey of (1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is UIJOAFFZIWUOKS-DLOVCJGASA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-19(17,18)15-11-7-6-9(8-11)12(15)13(16)14-10-4-2-3-5-10/h9-12H,2-8H2,1H3,(H,14,16)/t9-,11-,12-/m0/s1.
What are the key properties of (1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
(1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-N-cyclopentyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 124868789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).