1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide

C18H29N3O3S — CID 120827983

IUPAC1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
SMILESCNC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C18H29N3O3S/c1-13-5-6-17(14(2)11-13)25(23,24)21-9-7-16(8-10-21)18(22)20-12-15(3)19-4/h5-6,11,15-16,19H,7-10,12H2,1-4H3,(H,20,22)
InChIKeyAOXHJIBCLAVMOY-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.43
Rot. Bonds6

About 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide

1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide (PubChem CID 120827983) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
PubChem CID120827983
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
SMILESCNC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C18H29N3O3S/c1-13-5-6-17(14(2)11-13)25(23,24)21-9-7-16(8-10-21)18(22)20-12-15(3)19-4/h5-6,11,15-16,19H,7-10,12H2,1-4H3,(H,20,22)
InChIKeyAOXHJIBCLAVMOY-UHFFFAOYSA-N
XLogP1.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119505936
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808
1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 120827948
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 25487612
1-(2,4-dimethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 51155545
N-(dicyclopropylmethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24620701
(2R)-2-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119369656
N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 51559056
N-(1-amino-2-methylpropan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119522375
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide (CID 120827983) is 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide is CNC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide?
The InChIKey is AOXHJIBCLAVMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-13-5-6-17(14(2)11-13)25(23,24)21-9-7-16(8-10-21)18(22)20-12-15(3)19-4/h5-6,11,15-16,19H,7-10,12H2,1-4H3,(H,20,22).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide?
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 120827983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).