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

C19H32ClN3O3S — CID 119666450

IUPACN-(1-aminohexan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-3-4-5-17(14-20)21-19(23)16-10-12-22(13-11-16)26(24,25)18-8-6-15(2)7-9-18;/h6-9,16-17H,3-5,10-14,20H2,1-2H3,(H,21,23);1H
InChIKeyXRUVVAMLOHHQCM-UHFFFAOYSA-N
MW418.00 g/mol
LogP2.45
Rot. Bonds8

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

N-(1-aminohexan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119666450) has the molecular formula C19H32ClN3O3S and a molecular weight of 418.00 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
PubChem CID119666450
Molecular FormulaC19H32ClN3O3S
Molecular Weight418.00 g/mol
Exact Mass417.19
IUPAC NameN-(1-aminohexan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-3-4-5-17(14-20)21-19(23)16-10-12-22(13-11-16)26(24,25)18-8-6-15(2)7-9-18;/h6-9,16-17H,3-5,10-14,20H2,1-2H3,(H,21,23);1H
InChIKeyXRUVVAMLOHHQCM-UHFFFAOYSA-N
XLogP2.45
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.00
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119665925
N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119570056
1-(4-methylphenyl)sulfonyl-N-[4-methylsulfanyl-1-oxo-1-(pentylamino)butan-2-yl]piperidine-4-carboxamide
CID 3750650
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119522881
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
N-[(2R)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 92506922
1-(4-ethoxyphenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 18082324
N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 133167103
N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 120507976
N-(3-hydroxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 3152303
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119598626
N-(2-butoxy-5-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55675300

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride (CID 119666450) is N-(1-aminohexan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride is CCCCC(CN)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is XRUVVAMLOHHQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S.ClH/c1-3-4-5-17(14-20)21-19(23)16-10-12-22(13-11-16)26(24,25)18-8-6-15(2)7-9-18;/h6-9,16-17H,3-5,10-14,20H2,1-2H3,(H,21,23);1H.
What are the key properties of N-(1-aminohexan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 418.00 g/mol, XLogP of 2.45, 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-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119666450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).