1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide

C21H35N3O3S — CID 122142477

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CN(C)C(C)C)CC2)cc1C
InChIInChI=1S/C21H35N3O3S/c1-15(2)23(6)14-18(5)22-21(25)19-9-11-24(12-10-19)28(26,27)20-8-7-16(3)17(4)13-20/h7-8,13,15,18-19H,9-12,14H2,1-6H3,(H,22,25)/t18-/m1/s1
InChIKeyNTQRYUTZZJSRGK-GOSISDBHSA-N
MW409.60 g/mol
LogP2.55
Rot. Bonds7

About 1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide (PubChem CID 122142477) has the molecular formula C21H35N3O3S and a molecular weight of 409.60 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide
PubChem CID122142477
Molecular FormulaC21H35N3O3S
Molecular Weight409.60 g/mol
Exact Mass409.24
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CN(C)C(C)C)CC2)cc1C
InChIInChI=1S/C21H35N3O3S/c1-15(2)23(6)14-18(5)22-21(25)19-9-11-24(12-10-19)28(26,27)20-8-7-16(3)17(4)13-20/h7-8,13,15,18-19H,9-12,14H2,1-6H3,(H,22,25)/t18-/m1/s1
InChIKeyNTQRYUTZZJSRGK-GOSISDBHSA-N
XLogP2.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 120509212
1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 26695745
N-[(2S)-butan-2-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1092912
N-(3-aminobutyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119495981
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46422068
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430619
N-(3-aminopropyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119405837
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride
CID 120509042
1-(benzenesulfonyl)-N-[1-(3,4-dimethylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 133167070
1-(3,4-dimethylphenyl)sulfonyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 51185436
1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 8759981

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide (CID 122142477) is 1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CN(C)C(C)C)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide?
The InChIKey is NTQRYUTZZJSRGK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H35N3O3S/c1-15(2)23(6)14-18(5)22-21(25)19-9-11-24(12-10-19)28(26,27)20-8-7-16(3)17(4)13-20/h7-8,13,15,18-19H,9-12,14H2,1-6H3,(H,22,25)/t18-/m1/s1.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide has a molecular weight of 409.60 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 122142477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).