methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate

C16H23N3O5S — CID 94011850

IUPACmethyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1
InChIInChI=1S/C16H23N3O5S/c1-18(2)25(22,23)19-10-4-5-13(11-19)15(20)17-14-8-6-12(7-9-14)16(21)24-3/h6-9,13H,4-5,10-11H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKeyJVXCLSSJRVIGQG-CYBMUJFWSA-N
MW369.44 g/mol
LogP0.93
Rot. Bonds5

About methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate

methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate (PubChem CID 94011850) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate
PubChem CID94011850
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Namemethyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1
InChIInChI=1S/C16H23N3O5S/c1-18(2)25(22,23)19-10-4-5-13(11-19)15(20)17-14-8-6-12(7-9-14)16(21)24-3/h6-9,13H,4-5,10-11H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKeyJVXCLSSJRVIGQG-CYBMUJFWSA-N
XLogP0.93
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 93487555
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
methyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41301922
methyl 4-[[(3R)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 2234292
N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 43876123
(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 30397988
N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 43905127
(3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 99939714
(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
ethyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]-3-methylbenzoate
CID 92671950
N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 53283870
(3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 95877726

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate (CID 94011850) is methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1.
What is the InChIKey of methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate?
The InChIKey is JVXCLSSJRVIGQG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-18(2)25(22,23)19-10-4-5-13(11-19)15(20)17-14-8-6-12(7-9-14)16(21)24-3/h6-9,13H,4-5,10-11H2,1-3H3,(H,17,20)/t13-/m1/s1.
What are the key properties of methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate?
methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate has a molecular weight of 369.44 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 94011850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).