(3S)-1-(2-cyclopentylethylsulfonyl)-N-methylpyrrolidine-3-carboxamide

C13H24N2O3S — CID 164634274

IUPAC(3S)-1-(2-cyclopentylethylsulfonyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCN(S(=O)(=O)CCC2CCCC2)C1
InChIInChI=1S/C13H24N2O3S/c1-14-13(16)12-6-8-15(10-12)19(17,18)9-7-11-4-2-3-5-11/h11-12H,2-10H2,1H3,(H,14,16)/t12-/m0/s1
InChIKeyKOZNSVJNTYJLPV-LBPRGKRZSA-N
MW288.41 g/mol
LogP0.96
Rot. Bonds5

About (3S)-1-(2-cyclopentylethylsulfonyl)-N-methylpyrrolidine-3-carboxamide

(3S)-1-(2-cyclopentylethylsulfonyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 164634274) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is (3S)-1-(2-cyclopentylethylsulfonyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-cyclopentylethylsulfonyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID164634274
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name(3S)-1-(2-cyclopentylethylsulfonyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCN(S(=O)(=O)CCC2CCCC2)C1
InChIInChI=1S/C13H24N2O3S/c1-14-13(16)12-6-8-15(10-12)19(17,18)9-7-11-4-2-3-5-11/h11-12H,2-10H2,1H3,(H,14,16)/t12-/m0/s1
InChIKeyKOZNSVJNTYJLPV-LBPRGKRZSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-[(3S)-2-oxopyrrolidin-3-yl]methanesulfonamide
CID 125448538
1-cyclopentyl-N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 164640214
1-ethylsulfinyl-N-methylpyrrolidine-3-carboxamide
CID 153573655
N-methyl-1-piperidin-4-ylsulfonylpyrrolidine-3-carboxamide
CID 178799216
3-propyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
CID 55164965
N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
CID 63005496
3-ethyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide
CID 63138809
3-propyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide
CID 63138854
3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
CID 63141905
4-methyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
CID 63714518
4-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide
CID 63716438
2-methyl-N-(2-sulfamoylethyl)pyrrolidine-3-carboxamide
CID 79388251

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-cyclopentylethylsulfonyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-cyclopentylethylsulfonyl)-N-methylpyrrolidine-3-carboxamide (CID 164634274) is (3S)-1-(2-cyclopentylethylsulfonyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-cyclopentylethylsulfonyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-cyclopentylethylsulfonyl)-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@H]1CCN(S(=O)(=O)CCC2CCCC2)C1.
What is the InChIKey of (3S)-1-(2-cyclopentylethylsulfonyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is KOZNSVJNTYJLPV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-14-13(16)12-6-8-15(10-12)19(17,18)9-7-11-4-2-3-5-11/h11-12H,2-10H2,1H3,(H,14,16)/t12-/m0/s1.
What are the key properties of (3S)-1-(2-cyclopentylethylsulfonyl)-N-methylpyrrolidine-3-carboxamide?
(3S)-1-(2-cyclopentylethylsulfonyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 288.41 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-cyclopentylethylsulfonyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 164634274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).