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

C15H22N2O3S — CID 41447048

IUPAC(3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2)C1
InChIInChI=1S/C15H22N2O3S/c1-3-21(19,20)17-9-5-7-13(11-17)15(18)16-14-8-4-6-12(2)10-14/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyBVGNZYRHTHDIMA-CYBMUJFWSA-N
MW310.42 g/mol
LogP2.00
Rot. Bonds4

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

(3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 41447048) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID41447048
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2)C1
InChIInChI=1S/C15H22N2O3S/c1-3-21(19,20)17-9-5-7-13(11-17)15(18)16-14-8-4-6-12(2)10-14/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyBVGNZYRHTHDIMA-CYBMUJFWSA-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-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447046
(3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447080
(3S)-1-[(4-fluorophenyl)methylsulfonyl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 92642100
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 92641688
(3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95118412
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931
1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 3214784
1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47001087
(3S)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 98054801
(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084
1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 50794707

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide (CID 41447048) is (3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide is CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2)C1.
What is the InChIKey of (3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is BVGNZYRHTHDIMA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-21(19,20)17-9-5-7-13(11-17)15(18)16-14-8-4-6-12(2)10-14/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3,(H,16,18)/t13-/m1/s1.
What are the key properties of (3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide?
(3R)-1-ethylsulfonyl-N-(3-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 (3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 41447048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).