N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride

C20H34ClN3O3S — CID 119665925

IUPACN-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1.Cl
InChIInChI=1S/C20H33N3O3S.ClH/c1-4-5-6-18(14-21)22-20(24)17-9-11-23(12-10-17)27(25,26)19-8-7-15(2)13-16(19)3;/h7-8,13,17-18H,4-6,9-12,14,21H2,1-3H3,(H,22,24);1H
InChIKeyXJBYZYKJJYXRQJ-UHFFFAOYSA-N
MW432.03 g/mol
LogP2.76
Rot. Bonds8

About N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119665925) has the molecular formula C20H34ClN3O3S and a molecular weight of 432.03 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
PubChem CID119665925
Molecular FormulaC20H34ClN3O3S
Molecular Weight432.03 g/mol
Exact Mass431.20
IUPAC NameN-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1.Cl
InChIInChI=1S/C20H33N3O3S.ClH/c1-4-5-6-18(14-21)22-20(24)17-9-11-23(12-10-17)27(25,26)19-8-7-15(2)13-16(19)3;/h7-8,13,17-18H,4-6,9-12,14,21H2,1-3H3,(H,22,24);1H
InChIKeyXJBYZYKJJYXRQJ-UHFFFAOYSA-N
XLogP2.76
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.03
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119666450
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808
N-(dicyclopropylmethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24620701
N-(1-amino-2-methylpropan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119522375
(2R)-2-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119369656
N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24613397
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119505936
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120827983
ethyl 4-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 26253148
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
N-butyl-1-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 78855696

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride (CID 119665925) is N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride is CCCCC(CN)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is XJBYZYKJJYXRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S.ClH/c1-4-5-6-18(14-21)22-20(24)17-9-11-23(12-10-17)27(25,26)19-8-7-15(2)13-16(19)3;/h7-8,13,17-18H,4-6,9-12,14,21H2,1-3H3,(H,22,24);1H.
What are the key properties of N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 432.03 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119665925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).