(3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide

C19H31N3O3S — CID 95875644

IUPAC(3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
SMILESCc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C
InChIInChI=1S/C19H31N3O3S/c1-14(2)18(17-11-7-6-9-15(17)3)20-19(23)16-10-8-12-22(13-16)26(24,25)21(4)5/h6-7,9,11,14,16,18H,8,10,12-13H2,1-5H3,(H,20,23)/t16-,18-/m0/s1
InChIKeyBRDNMPLNPYCCQP-WMZOPIPTSA-N
MW381.54 g/mol
LogP2.33
Rot. Bonds6

About (3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide

(3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide (PubChem CID 95875644) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is (3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
PubChem CID95875644
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name(3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
SMILESCc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C
InChIInChI=1S/C19H31N3O3S/c1-14(2)18(17-11-7-6-9-15(17)3)20-19(23)16-10-8-12-22(13-16)26(24,25)21(4)5/h6-7,9,11,14,16,18H,8,10,12-13H2,1-5H3,(H,20,23)/t16-,18-/m0/s1
InChIKeyBRDNMPLNPYCCQP-WMZOPIPTSA-N
XLogP2.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.33
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
(3R)-1-(dimethylsulfamoyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 92673525
N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 53283870
(3S)-1-(dimethylsulfamoyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 95194832
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide
CID 30379738
(3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681982
(3R)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681981
(3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide
CID 125074634
(3R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 93488028
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 38018238
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
(3R)-1-(dimethylsulfamoyl)-N-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide
CID 94011647

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide (CID 95875644) is (3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide is Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)C(C)C.
What is the InChIKey of (3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide?
The InChIKey is BRDNMPLNPYCCQP-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-14(2)18(17-11-7-6-9-15(17)3)20-19(23)16-10-8-12-22(13-16)26(24,25)21(4)5/h6-7,9,11,14,16,18H,8,10,12-13H2,1-5H3,(H,20,23)/t16-,18-/m0/s1.
What are the key properties of (3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide?
(3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide has a molecular weight of 381.54 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 95875644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).