(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide

C18H23N3O3S — CID 30397988

IUPAC(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H23N3O3S/c1-20(2)25(23,24)21-11-5-8-16(13-21)18(22)19-17-10-9-14-6-3-4-7-15(14)12-17/h3-4,6-7,9-10,12,16H,5,8,11,13H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyMSIRXKOAEJZLBN-INIZCTEOSA-N
MW361.47 g/mol
LogP2.30
Rot. Bonds4

About (3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide

(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide (PubChem CID 30397988) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is (3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
PubChem CID30397988
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H23N3O3S/c1-20(2)25(23,24)21-11-5-8-16(13-21)18(22)19-17-10-9-14-6-3-4-7-15(14)12-17/h3-4,6-7,9-10,12,16H,5,8,11,13H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyMSIRXKOAEJZLBN-INIZCTEOSA-N
XLogP2.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 93487555
N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 43905127
1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
CID 43916583
N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 43876123
methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate
CID 94011850
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 27151827
(3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681982
(3R)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681981
N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 53283870
(3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 99939714

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide (CID 30397988) is (3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide is CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3ccccc3c2)C1.
What is the InChIKey of (3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide?
The InChIKey is MSIRXKOAEJZLBN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-20(2)25(23,24)21-11-5-8-16(13-21)18(22)19-17-10-9-14-6-3-4-7-15(14)12-17/h3-4,6-7,9-10,12,16H,5,8,11,13H2,1-2H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide?
(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 30397988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).