N-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

C17H25N3O3S — CID 136523972

IUPACN-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)N1CCCC1CN1CCCC1
InChIInChI=1S/C17H25N3O3S/c1-24(22,23)16-9-3-2-8-15(16)18-17(21)20-12-6-7-14(20)13-19-10-4-5-11-19/h2-3,8-9,14H,4-7,10-13H2,1H3,(H,18,21)
InChIKeyQYYJNHHDXFFGFZ-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.18
Rot. Bonds4

About N-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

N-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 136523972) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID136523972
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)N1CCCC1CN1CCCC1
InChIInChI=1S/C17H25N3O3S/c1-24(22,23)16-9-3-2-8-15(16)18-17(21)20-12-6-7-14(20)13-19-10-4-5-11-19/h2-3,8-9,14H,4-7,10-13H2,1H3,(H,18,21)
InChIKeyQYYJNHHDXFFGFZ-UHFFFAOYSA-N
XLogP2.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95045652
(2S)-N-[2-(dimethylamino)phenyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95634923
2-(morpholin-4-ylmethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 56795491
(2R)-N-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94821286
(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 125155789
(2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide
CID 111116843
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 47075835
2-(benzenesulfonylmethyl)-N-(2-chlorophenyl)pyrrolidine-1-carboxamide
CID 90585795
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
N-(2-methoxyphenyl)-3-(piperidin-1-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 90568974
(2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 97453908
(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 100841076

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (CID 136523972) is N-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is CS(=O)(=O)c1ccccc1NC(=O)N1CCCC1CN1CCCC1.
What is the InChIKey of N-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is QYYJNHHDXFFGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-24(22,23)16-9-3-2-8-15(16)18-17(21)20-12-6-7-14(20)13-19-10-4-5-11-19/h2-3,8-9,14H,4-7,10-13H2,1H3,(H,18,21).
What are the key properties of N-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
N-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136523972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).