(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide

C16H23N3O4S — CID 9208005

IUPAC(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1
InChIInChI=1S/C16H23N3O4S/c1-12(20)19-9-5-6-13(11-19)16(21)17-14-7-4-8-15(10-14)24(22,23)18(2)3/h4,7-8,10,13H,5-6,9,11H2,1-3H3,(H,17,21)/t13-/m0/s1
InChIKeyGOBDEVPFNPKYLZ-ZDUSSCGKSA-N
MW353.44 g/mol
LogP1.13
Rot. Bonds4

About (3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide

(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 9208005) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is (3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
PubChem CID9208005
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1
InChIInChI=1S/C16H23N3O4S/c1-12(20)19-9-5-6-13(11-19)16(21)17-14-7-4-8-15(10-14)24(22,23)18(2)3/h4,7-8,10,13H,5-6,9,11H2,1-3H3,(H,17,21)/t13-/m0/s1
InChIKeyGOBDEVPFNPKYLZ-ZDUSSCGKSA-N
XLogP1.13
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[[3-(dimethylsulfamoyl)phenyl]carbamothioyl]piperidine-3-carboxamide
CID 8628883
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 31297742
ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42948173
1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 42924913
(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 26396271
(3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide
CID 9073712
1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 119438060
1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide
CID 33156130
methyl (2S)-2-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 52522731
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide (CID 9208005) is (3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide is CC(=O)N1CCC[C@H](C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1.
What is the InChIKey of (3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is GOBDEVPFNPKYLZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-12(20)19-9-5-6-13(11-19)16(21)17-14-7-4-8-15(10-14)24(22,23)18(2)3/h4,7-8,10,13H,5-6,9,11H2,1-3H3,(H,17,21)/t13-/m0/s1.
What are the key properties of (3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide?
(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 9208005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).