(2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide

C17H32N2O3S — CID 97160237

IUPAC(2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide
SMILESCC(C)(CN1CCC[C@H]1C(=O)NCC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C17H32N2O3S/c1-17(2,23(3,21)22)13-19-11-7-10-15(19)16(20)18-12-14-8-5-4-6-9-14/h14-15H,4-13H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKeyOPWQJSBBMORJJP-HNNXBMFYSA-N
MW344.52 g/mol
LogP1.97
Rot. Bonds6

About (2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide

(2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide (PubChem CID 97160237) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is (2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide
PubChem CID97160237
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC Name(2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide
SMILESCC(C)(CN1CCC[C@H]1C(=O)NCC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C17H32N2O3S/c1-17(2,23(3,21)22)13-19-11-7-10-15(19)16(20)18-12-14-8-5-4-6-9-14/h14-15H,4-13H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKeyOPWQJSBBMORJJP-HNNXBMFYSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide (CID 97160237) is (2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide is CC(C)(CN1CCC[C@H]1C(=O)NCC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of (2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is OPWQJSBBMORJJP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-17(2,23(3,21)22)13-19-11-7-10-15(19)16(20)18-12-14-8-5-4-6-9-14/h14-15H,4-13H2,1-3H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide?
(2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 344.52 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 97160237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).