(2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide

C15H21N3O3S — CID 22689965

IUPAC(2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCc2ccc(NC(=O)[C@@H]3CCCN3)cc21
InChIInChI=1S/C15H21N3O3S/c1-22(20,21)18-9-3-4-11-6-7-12(10-14(11)18)17-15(19)13-5-2-8-16-13/h6-7,10,13,16H,2-5,8-9H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyCWIGHUYQYDYMMM-ZDUSSCGKSA-N
MW323.42 g/mol
LogP1.09
Rot. Bonds3

About (2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide

(2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide (PubChem CID 22689965) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is (2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide
PubChem CID22689965
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name(2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCc2ccc(NC(=O)[C@@H]3CCCN3)cc21
InChIInChI=1S/C15H21N3O3S/c1-22(20,21)18-9-3-4-11-6-7-12(10-14(11)18)17-15(19)13-5-2-8-16-13/h6-7,10,13,16H,2-5,8-9H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyCWIGHUYQYDYMMM-ZDUSSCGKSA-N
XLogP1.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)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

2-cyclopropyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110622787
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)piperidine-4-carboxamide
CID 22690154
(3S)-1-tert-butyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 92612262
N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 110622796
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
1-[(4-fluorophenyl)methyl]-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 30372783
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3-(oxolan-2-ylmethyl)urea
CID 91812701
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide
CID 7517878
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60711549
N-(3-hydroxypropyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 7688066
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide (CID 22689965) is (2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCc2ccc(NC(=O)[C@@H]3CCCN3)cc21.
What is the InChIKey of (2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide?
The InChIKey is CWIGHUYQYDYMMM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-22(20,21)18-9-3-4-11-6-7-12(10-14(11)18)17-15(19)13-5-2-8-16-13/h6-7,10,13,16H,2-5,8-9H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide?
(2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 22689965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).