N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride

C16H34ClN3O3S — CID 119606604

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NC(C)(CN)C(C)C)CC1.Cl
InChIInChI=1S/C16H33N3O3S.ClH/c1-5-6-11-23(21,22)19-9-7-14(8-10-19)15(20)18-16(4,12-17)13(2)3;/h13-14H,5-12,17H2,1-4H3,(H,18,20);1H
InChIKeyPMOCAZWQEQAJOX-UHFFFAOYSA-N
MW383.99 g/mol
LogP1.74
Rot. Bonds8

About N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119606604) has the molecular formula C16H34ClN3O3S and a molecular weight of 383.99 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride
PubChem CID119606604
Molecular FormulaC16H34ClN3O3S
Molecular Weight383.99 g/mol
Exact Mass383.20
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NC(C)(CN)C(C)C)CC1.Cl
InChIInChI=1S/C16H33N3O3S.ClH/c1-5-6-11-23(21,22)19-9-7-14(8-10-19)15(20)18-16(4,12-17)13(2)3;/h13-14H,5-12,17H2,1-4H3,(H,18,20);1H
InChIKeyPMOCAZWQEQAJOX-UHFFFAOYSA-N
XLogP1.74
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.99
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 119608309
1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
CID 6472564
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide
CID 115310482
1-butylsulfonylpiperidine-4-carbothioamide
CID 39364305
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride
CID 119607916
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide
CID 60559363
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-butylsulfonylpiperidine-4-carboxamide
CID 55765140
1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
CID 52511301
2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 120702923
N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]-1-butylsulfonylpiperidine-4-carboxamide
CID 99795554

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride (CID 119606604) is N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride is CCCCS(=O)(=O)N1CCC(C(=O)NC(C)(CN)C(C)C)CC1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is PMOCAZWQEQAJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O3S.ClH/c1-5-6-11-23(21,22)19-9-7-14(8-10-19)15(20)18-16(4,12-17)13(2)3;/h13-14H,5-12,17H2,1-4H3,(H,18,20);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 383.99 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119606604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).