1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide

C17H25N3O3S2 — CID 47086715

IUPAC1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C17H25N3O3S2/c1-25(22,23)20-7-3-6-16(20)17(21)18-15-5-2-4-14(12-15)13-19-8-10-24-11-9-19/h2,4-5,12,16H,3,6-11,13H2,1H3,(H,18,21)
InChIKeyUFCLZDZKQCMYMU-UHFFFAOYSA-N
MW383.54 g/mol
LogP1.60
Rot. Bonds5

About 1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide

1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 47086715) has the molecular formula C17H25N3O3S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID47086715
Molecular FormulaC17H25N3O3S2
Molecular Weight383.54 g/mol
Exact Mass383.13
IUPAC Name1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C17H25N3O3S2/c1-25(22,23)20-7-3-6-16(20)17(21)18-15-5-2-4-14(12-15)13-19-8-10-24-11-9-19/h2,4-5,12,16H,3,6-11,13H2,1H3,(H,18,21)
InChIKeyUFCLZDZKQCMYMU-UHFFFAOYSA-N
XLogP1.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]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

Related Compounds

1-methylsulfonyl-N-[3-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 46419731
(2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 25365977
1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]azepane-2-carboxamide
CID 131900931
2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 49005209
N-[3-(thiomorpholin-4-ylmethyl)phenyl]ethanesulfonamide
CID 86803114
(2S)-N-(3,5-dimethylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 40853891
N-[4-(2-hydroxyethyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 61221418
(2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120940530
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 43033680
2-[3-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 119351880
2-pyrrolidin-2-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119869806
1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869772

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide (CID 47086715) is 1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCC1C(=O)Nc1cccc(CN2CCSCC2)c1.
What is the InChIKey of 1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is UFCLZDZKQCMYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S2/c1-25(22,23)20-7-3-6-16(20)17(21)18-15-5-2-4-14(12-15)13-19-8-10-24-11-9-19/h2,4-5,12,16H,3,6-11,13H2,1H3,(H,18,21).
What are the key properties of 1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide?
1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 47086715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).