2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide

C15H22N2OS — CID 79388581

IUPAC2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCSc1ccc(C(C)NC(=O)C2CCNC2C)cc1
InChIInChI=1S/C15H22N2OS/c1-10(12-4-6-13(19-3)7-5-12)17-15(18)14-8-9-16-11(14)2/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyLDHAADSLAQUYHW-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.58
Rot. Bonds4

About 2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide

2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 79388581) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID79388581
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCSc1ccc(C(C)NC(=O)C2CCNC2C)cc1
InChIInChI=1S/C15H22N2OS/c1-10(12-4-6-13(19-3)7-5-12)17-15(18)14-8-9-16-11(14)2/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyLDHAADSLAQUYHW-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-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

N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79385324
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 79378638
N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-2-carboxamide
CID 43705280
2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79378615
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81360733
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79378610
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
CID 34483284
N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388197
(2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 38920001
2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79388540
1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea
CID 38268942
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 104921807

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide (CID 79388581) is 2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide is CSc1ccc(C(C)NC(=O)C2CCNC2C)cc1.
What is the InChIKey of 2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is LDHAADSLAQUYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10(12-4-6-13(19-3)7-5-12)17-15(18)14-8-9-16-11(14)2/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide?
2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 79388581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).