(3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide

C19H31N3O3S — CID 30379738

IUPAC(3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1
InChIInChI=1S/C19H31N3O3S/c1-15(2)13-18(16-9-6-5-7-10-16)20-19(23)17-11-8-12-22(14-17)26(24,25)21(3)4/h5-7,9-10,15,17-18H,8,11-14H2,1-4H3,(H,20,23)/t17-,18+/m1/s1
InChIKeyLADBVDZXIIWIQJ-MSOLQXFVSA-N
MW381.54 g/mol
LogP2.41
Rot. Bonds7

About (3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide

(3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide (PubChem CID 30379738) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is (3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide
PubChem CID30379738
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name(3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1
InChIInChI=1S/C19H31N3O3S/c1-15(2)13-18(16-9-6-5-7-10-16)20-19(23)17-11-8-12-22(14-17)26(24,25)21(3)4/h5-7,9-10,15,17-18H,8,11-14H2,1-4H3,(H,20,23)/t17-,18+/m1/s1
InChIKeyLADBVDZXIIWIQJ-MSOLQXFVSA-N
XLogP2.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 38018238
(3S)-N-[(1S)-3-methyl-1-phenylbutyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94012606
1-(dimethylsulfamoyl)-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 43876701
(3R)-1-(benzenesulfonyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 100659942
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 100659950
(3R)-1-(dimethylsulfamoyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 92673525
(3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
CID 95875644
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95877697
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
(3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 28958223
(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 39730085
(3S)-1-(dimethylsulfamoyl)-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 30386842

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide (CID 30379738) is (3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide is CC(C)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccccc1.
What is the InChIKey of (3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide?
The InChIKey is LADBVDZXIIWIQJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-15(2)13-18(16-9-6-5-7-10-16)20-19(23)17-11-8-12-22(14-17)26(24,25)21(3)4/h5-7,9-10,15,17-18H,8,11-14H2,1-4H3,(H,20,23)/t17-,18+/m1/s1.
What are the key properties of (3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide?
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide has a molecular weight of 381.54 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide is sourced from PubChem (CID 30379738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).