1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide

C15H22N2O3S — CID 6472618

IUPAC1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2C)C1
InChIInChI=1S/C15H22N2O3S/c1-3-21(19,20)17-10-6-8-13(11-17)15(18)16-14-9-5-4-7-12(14)2/h4-5,7,9,13H,3,6,8,10-11H2,1-2H3,(H,16,18)
InChIKeyPRZCDGGTBTZSNZ-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.00
Rot. Bonds4

About 1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide

1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide (PubChem CID 6472618) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
PubChem CID6472618
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2C)C1
InChIInChI=1S/C15H22N2O3S/c1-3-21(19,20)17-10-6-8-13(11-17)15(18)16-14-9-5-4-7-12(14)2/h4-5,7,9,13H,3,6,8,10-11H2,1-2H3,(H,16,18)
InChIKeyPRZCDGGTBTZSNZ-UHFFFAOYSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-bromophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 41302253
(3R)-1-(4-bromophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 41302252
(3S)-1-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 7371815
(3R)-N-(3-carbamoyl-2-methylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 95875581
(3R)-N-(2,4-dimethylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641406
N-(2,4-dimethylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50808701
N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 146337060
(3R)-1-ethylsulfonyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 125145391
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 92641578
N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051
1-(1H-imidazol-5-ylsulfonyl)-N-(2-methylphenyl)piperidine-3-carboxamide
CID 5308672
(3R)-N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641466

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide (CID 6472618) is 1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2C)C1.
What is the InChIKey of 1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide?
The InChIKey is PRZCDGGTBTZSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-21(19,20)17-10-6-8-13(11-17)15(18)16-14-9-5-4-7-12(14)2/h4-5,7,9,13H,3,6,8,10-11H2,1-2H3,(H,16,18).
What are the key properties of 1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide?
1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 6472618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).