(3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide

C18H29N3O3S — CID 93488028

IUPAC(3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(C)c1
InChIInChI=1S/C18H29N3O3S/c1-13-8-9-17(14(2)11-13)15(3)19-18(22)16-7-6-10-21(12-16)25(23,24)20(4)5/h8-9,11,15-16H,6-7,10,12H2,1-5H3,(H,19,22)/t15-,16+/m0/s1
InChIKeyPUXMCCGGVJZPOK-JKSUJKDBSA-N
MW367.52 g/mol
LogP2.00
Rot. Bonds5

About (3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide

(3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide (PubChem CID 93488028) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
PubChem CID93488028
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name(3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(C)c1
InChIInChI=1S/C18H29N3O3S/c1-13-8-9-17(14(2)11-13)15(3)19-18(22)16-7-6-10-21(12-16)25(23,24)20(4)5/h8-9,11,15-16H,6-7,10,12H2,1-5H3,(H,19,22)/t15-,16+/m0/s1
InChIKeyPUXMCCGGVJZPOK-JKSUJKDBSA-N
XLogP2.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95877697
(3S)-1-(dimethylsulfamoyl)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 125086267
(3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 95396939
(3R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 34177914
(3S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 38012103
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-3-carboxamide
CID 53282828
(3S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125071806
(3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
CID 95875644
N-[1-(2-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168121
1-(dimethylsulfamoyl)-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 43876701
(3S)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125076664
1-(2-methoxy-5-methylphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 43906695

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide (CID 93488028) is (3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide is Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(C)c1.
What is the InChIKey of (3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The InChIKey is PUXMCCGGVJZPOK-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-13-8-9-17(14(2)11-13)15(3)19-18(22)16-7-6-10-21(12-16)25(23,24)20(4)5/h8-9,11,15-16H,6-7,10,12H2,1-5H3,(H,19,22)/t15-,16+/m0/s1.
What are the key properties of (3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
(3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide is sourced from PubChem (CID 93488028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).