(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide

C16H25N3O4S — CID 93486945

IUPAC(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C16H25N3O4S/c1-18(2)24(21,22)19-10-6-8-14(12-19)16(20)17-11-13-7-4-5-9-15(13)23-3/h4-5,7,9,14H,6,8,10-12H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyGGKMCGFFYFEKPQ-AWEZNQCLSA-N
MW355.46 g/mol
LogP0.83
Rot. Bonds6

About (3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide

(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 93486945) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is (3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID93486945
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C16H25N3O4S/c1-18(2)24(21,22)19-10-6-8-14(12-19)16(20)17-11-13-7-4-5-9-15(13)23-3/h4-5,7,9,14H,6,8,10-12H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyGGKMCGFFYFEKPQ-AWEZNQCLSA-N
XLogP0.83
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 132762136
(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 39730085
(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
1-(1,3-benzodioxol-5-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 3214811
N-[(2,3-dimethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 22552995
(3S)-N-[(2-methoxyphenyl)methyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 1458107
1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 46772253
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 15993019
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
1-(benzenesulfonyl)-N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 73259233
1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 22552894
N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 22552953

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 93486945) is (3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide is COc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of (3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is GGKMCGFFYFEKPQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-18(2)24(21,22)19-10-6-8-14(12-19)16(20)17-11-13-7-4-5-9-15(13)23-3/h4-5,7,9,14H,6,8,10-12H2,1-3H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide?
(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 93486945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).