(3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide

C17H26N2O4S — CID 95118412

IUPAC(3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(OC(C)C)c2)C1
InChIInChI=1S/C17H26N2O4S/c1-4-24(21,22)19-10-6-7-14(12-19)17(20)18-15-8-5-9-16(11-15)23-13(2)3/h5,8-9,11,13-14H,4,6-7,10,12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyOJMGDWFYHYTOAF-AWEZNQCLSA-N
MW354.47 g/mol
LogP2.47
Rot. Bonds6

About (3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide

(3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 95118412) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is (3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
PubChem CID95118412
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name(3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(OC(C)C)c2)C1
InChIInChI=1S/C17H26N2O4S/c1-4-24(21,22)19-10-6-7-14(12-19)17(20)18-15-8-5-9-16(11-15)23-13(2)3/h5,8-9,11,13-14H,4,6-7,10,12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyOJMGDWFYHYTOAF-AWEZNQCLSA-N
XLogP2.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95119279
1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43908136
(3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447048
(3S)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447046
(3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447080
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931
1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925323
1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 110335932
(3S)-N-(3,4-dimethoxyphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447145
(3R)-N-(3-methoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 99949692
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43054004
(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide (CID 95118412) is (3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide is CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(OC(C)C)c2)C1.
What is the InChIKey of (3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is OJMGDWFYHYTOAF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-4-24(21,22)19-10-6-7-14(12-19)17(20)18-15-8-5-9-16(11-15)23-13(2)3/h5,8-9,11,13-14H,4,6-7,10,12H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide?
(3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 95118412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).