N-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide

C14H20N2OS — CID 141072275

IUPACN-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide
SMILESCSN1CCCC1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H20N2OS/c1-15(11-12-7-4-3-5-8-12)14(17)13-9-6-10-16(13)18-2/h3-5,7-8,13H,6,9-11H2,1-2H3
InChIKeyQAVJPVKTSWQBTG-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.39
Rot. Bonds4

About N-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide

N-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide (PubChem CID 141072275) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide
PubChem CID141072275
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide
SMILESCSN1CCCC1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H20N2OS/c1-15(11-12-7-4-3-5-8-12)14(17)13-9-6-10-16(13)18-2/h3-5,7-8,13H,6,9-11H2,1-2H3
InChIKeyQAVJPVKTSWQBTG-UHFFFAOYSA-N
XLogP2.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341656
(2S)-1-(1,3-benzoxazol-2-yl)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 99903587
(2S)-N-benzyl-1-[(2S)-1-(2,6-difluorobenzoyl)pyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 50985877
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 61186390
4-[[methyl-[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125148660
(2S)-N-benzyl-1-[(2S)-1-(3,5-diethoxybenzoyl)pyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 50985913
1-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112790162
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131814
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide (CID 141072275) is N-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide is CSN1CCCC1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide?
The InChIKey is QAVJPVKTSWQBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-15(11-12-7-4-3-5-8-12)14(17)13-9-6-10-16(13)18-2/h3-5,7-8,13H,6,9-11H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide?
N-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-methylsulfanylpyrrolidine-2-carboxamide is sourced from PubChem (CID 141072275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).