(3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide

C18H29N3O4S — CID 95194832

IUPAC(3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
SMILESCc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C18H29N3O4S/c1-14-8-5-6-10-17(14)25-13-15(2)19-18(22)16-9-7-11-21(12-16)26(23,24)20(3)4/h5-6,8,10,15-16H,7,9,11-13H2,1-4H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyUEOWZCPFDVQECZ-CVEARBPZSA-N
MW383.51 g/mol
LogP1.40
Rot. Bonds7

About (3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide

(3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide (PubChem CID 95194832) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is (3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
PubChem CID95194832
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name(3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
SMILESCc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C18H29N3O4S/c1-14-8-5-6-10-17(14)25-13-15(2)19-18(22)16-9-7-11-21(12-16)26(23,24)20(3)4/h5-6,8,10,15-16H,7,9,11-13H2,1-4H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyUEOWZCPFDVQECZ-CVEARBPZSA-N
XLogP1.40
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100675979
(3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 95880412
(3R)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95161873
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95877697
(3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
CID 95875644
(3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 28958223
1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 133189587
1-(4-fluorophenyl)sulfonyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 100652699
(3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide
CID 94625034
(3R)-1-(dimethylsulfamoyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 92673525
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide
CID 30379738
(3R)-1-(benzenesulfonyl)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99254445

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide (CID 95194832) is (3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide is Cc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of (3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide?
The InChIKey is UEOWZCPFDVQECZ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-14-8-5-6-10-17(14)25-13-15(2)19-18(22)16-9-7-11-21(12-16)26(23,24)20(3)4/h5-6,8,10,15-16H,7,9,11-13H2,1-4H3,(H,19,22)/t15-,16+/m1/s1.
What are the key properties of (3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide?
(3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide has a molecular weight of 383.51 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95194832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).