N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide

C13H18N2O3S — CID 45153692

IUPACN-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1ccccc1NC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C13H18N2O3S/c1-10-6-3-4-7-11(10)14-13(16)12-8-5-9-15(12)19(2,17)18/h3-4,6-7,12H,5,8-9H2,1-2H3,(H,14,16)
InChIKeyHNTZZMRKIUZQKI-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.36
Rot. Bonds3

About N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide

N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 45153692) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID45153692
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1ccccc1NC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C13H18N2O3S/c1-10-6-3-4-7-11(10)14-13(16)12-8-5-9-15(12)19(2,17)18/h3-4,6-7,12H,5,8-9H2,1-2H3,(H,14,16)
InChIKeyHNTZZMRKIUZQKI-UHFFFAOYSA-N
XLogP1.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093475
(2S)-N-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 8019206
N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240591
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 31700861
N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17463207
1-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-2-carboxamide
CID 50762317
1-(benzenesulfonyl)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43926596
1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 46744827
(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94624136
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55522001
(2S)-N-[2-[(2S)-2-[(4-bromophenyl)carbamoyl]pyrrolidin-1-yl]sulfonylphenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 139191952
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)piperidine-2-carboxamide
CID 16826687

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide (CID 45153692) is N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide is Cc1ccccc1NC(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is HNTZZMRKIUZQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10-6-3-4-7-11(10)14-13(16)12-8-5-9-15(12)19(2,17)18/h3-4,6-7,12H,5,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 45153692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).