4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide

C13H18N2OS — CID 63714277

IUPAC4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide
SMILESCSc1ccccc1NC(=O)C1CNCC1C
InChIInChI=1S/C13H18N2OS/c1-9-7-14-8-10(9)13(16)15-11-5-3-4-6-12(11)17-2/h3-6,9-10,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyIYCKVIREANAENN-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.20
Rot. Bonds3

About 4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide

4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide (PubChem CID 63714277) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide
PubChem CID63714277
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide
SMILESCSc1ccccc1NC(=O)C1CNCC1C
InChIInChI=1S/C13H18N2OS/c1-9-7-14-8-10(9)13(16)15-11-5-3-4-6-12(11)17-2/h3-6,9-10,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyIYCKVIREANAENN-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714112
4-methyl-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55229769
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 120917621
N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide
CID 81496464
N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55231498
ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63714826
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755
N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119263530
4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 63714279
N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55228625
N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63720795
N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674752

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide (CID 63714277) is 4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide is CSc1ccccc1NC(=O)C1CNCC1C.
What is the InChIKey of 4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is IYCKVIREANAENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9-7-14-8-10(9)13(16)15-11-5-3-4-6-12(11)17-2/h3-6,9-10,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide?
4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63714277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).