(3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide

C17H27N3O3S — CID 92681982

IUPAC(3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C17H27N3O3S/c1-13(2)15-9-5-6-10-16(15)18-17(21)14-8-7-11-20(12-14)24(22,23)19(3)4/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyCSJRTQZQBRQOFG-AWEZNQCLSA-N
MW353.49 g/mol
LogP2.27
Rot. Bonds5

About (3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide

(3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 92681982) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is (3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID92681982
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name(3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C17H27N3O3S/c1-13(2)15-9-5-6-10-16(15)18-17(21)14-8-7-11-20(12-14)24(22,23)19(3)4/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyCSJRTQZQBRQOFG-AWEZNQCLSA-N
XLogP2.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681981
(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
(3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 93487559
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 46763501
1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132984866
(3S)-1-(dimethylsulfamoyl)-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 30386842
N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 53283870
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95877697
(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92677063
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92642013
(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 30397988

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide (CID 92681982) is (3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide is CC(C)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of (3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is CSJRTQZQBRQOFG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13(2)15-9-5-6-10-16(15)18-17(21)14-8-7-11-20(12-14)24(22,23)19(3)4/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
(3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92681982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).