(2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide

C15H23N3OS — CID 77098306

IUPAC(2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCSc1cccc(CN(C)C(=O)[C@@H]2C[C@H](N)CN2C)c1
InChIInChI=1S/C15H23N3OS/c1-17-10-12(16)8-14(17)15(19)18(2)9-11-5-4-6-13(7-11)20-3/h4-7,12,14H,8-10,16H2,1-3H3/t12-,14-/m0/s1
InChIKeyFHLSRKMGVJZANX-JSGCOSHPSA-N
MW293.44 g/mol
LogP1.40
Rot. Bonds4

About (2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 77098306) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is (2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID77098306
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name(2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCSc1cccc(CN(C)C(=O)[C@@H]2C[C@H](N)CN2C)c1
InChIInChI=1S/C15H23N3OS/c1-17-10-12(16)8-14(17)15(19)18(2)9-11-5-4-6-13(7-11)20-3/h4-7,12,14H,8-10,16H2,1-3H3/t12-,14-/m0/s1
InChIKeyFHLSRKMGVJZANX-JSGCOSHPSA-N
XLogP1.40
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]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

3-amino-N-methyl-N-[(3-methylsulfanylphenyl)methyl]cyclohexane-1-carboxamide
CID 156608399
2-[(2R)-1,4-dimethylpiperazin-2-yl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]acetamide
CID 124758406
2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]acetamide
CID 124758405
1-cyclopropyl-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 70775095
1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 131890414
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]acetamide
CID 91833363
3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 156609275
2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 82237533
N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 131948127
3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115161620
3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide
CID 74246309
(2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide
CID 56877658

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide (CID 77098306) is (2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide is CSc1cccc(CN(C)C(=O)[C@@H]2C[C@H](N)CN2C)c1.
What is the InChIKey of (2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is FHLSRKMGVJZANX-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-17-10-12(16)8-14(17)15(19)18(2)9-11-5-4-6-13(7-11)20-3/h4-7,12,14H,8-10,16H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 77098306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).