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

C14H20N2OS — CID 119811706

IUPACN-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCSc1cc(C)ccc1CNC(=O)C1CCNC1
InChIInChI=1S/C14H20N2OS/c1-10-3-4-11(13(7-10)18-2)9-16-14(17)12-5-6-15-8-12/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyHYUSEUNUQFOXJV-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.94
Rot. Bonds4

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

N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 119811706) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID119811706
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCSc1cc(C)ccc1CNC(=O)C1CCNC1
InChIInChI=1S/C14H20N2OS/c1-10-3-4-11(13(7-10)18-2)9-16-14(17)12-5-6-15-8-12/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyHYUSEUNUQFOXJV-UHFFFAOYSA-N
XLogP1.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 115159517
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119339576
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
N-[(4-methyl-2-methylsulfanylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119339618
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005428
N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide
CID 119339437
N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119767534
N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
CID 119339701
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124741336

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide (CID 119811706) is N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide is CSc1cc(C)ccc1CNC(=O)C1CCNC1.
What is the InChIKey of N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is HYUSEUNUQFOXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-3-4-11(13(7-10)18-2)9-16-14(17)12-5-6-15-8-12/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide?
N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119811706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).