(3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide

C19H31N3O4S — CID 95880412

IUPAC(3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C
InChIInChI=1S/C19H31N3O4S/c1-14-8-9-18(11-15(14)2)26-13-16(3)20-19(23)17-7-6-10-22(12-17)27(24,25)21(4)5/h8-9,11,16-17H,6-7,10,12-13H2,1-5H3,(H,20,23)/t16-,17-/m1/s1
InChIKeyTYRMJNQCDSAVDV-IAGOWNOFSA-N
MW397.54 g/mol
LogP1.71
Rot. Bonds7

About (3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide

(3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide (PubChem CID 95880412) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
PubChem CID95880412
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC Name(3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C
InChIInChI=1S/C19H31N3O4S/c1-14-8-9-18(11-15(14)2)26-13-16(3)20-19(23)17-7-6-10-22(12-17)27(24,25)21(4)5/h8-9,11,16-17H,6-7,10,12-13H2,1-5H3,(H,20,23)/t16-,17-/m1/s1
InChIKeyTYRMJNQCDSAVDV-IAGOWNOFSA-N
XLogP1.71
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 95194832
(3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100666449
1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 133167070
(3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 28958223
(3R)-1-ethylsulfonyl-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 125042732
(3R)-1-(benzenesulfonyl)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99254445
(3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide
CID 94625034
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100675994
(3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 93488028
N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682822
(3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100658335
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95877697

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide (CID 95880412) is (3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide is Cc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C.
What is the InChIKey of (3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The InChIKey is TYRMJNQCDSAVDV-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-14-8-9-18(11-15(14)2)26-13-16(3)20-19(23)17-7-6-10-22(12-17)27(24,25)21(4)5/h8-9,11,16-17H,6-7,10,12-13H2,1-5H3,(H,20,23)/t16-,17-/m1/s1.
What are the key properties of (3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
(3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide is sourced from PubChem (CID 95880412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).