N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride

C13H28ClN3O3S — CID 119642002

IUPACN-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CCN(S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C13H27N3O3S.ClH/c1-4-13(14,5-2)10-15-12(17)11-6-8-16(9-7-11)20(3,18)19;/h11H,4-10,14H2,1-3H3,(H,15,17);1H
InChIKeyGCZFPANVHNJLBS-UHFFFAOYSA-N
MW341.91 g/mol
LogP0.71
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119642002) has the molecular formula C13H28ClN3O3S and a molecular weight of 341.91 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride
PubChem CID119642002
Molecular FormulaC13H28ClN3O3S
Molecular Weight341.91 g/mol
Exact Mass341.15
IUPAC NameN-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CCN(S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C13H27N3O3S.ClH/c1-4-13(14,5-2)10-15-12(17)11-6-8-16(9-7-11)20(3,18)19;/h11H,4-10,14H2,1-3H3,(H,15,17);1H
InChIKeyGCZFPANVHNJLBS-UHFFFAOYSA-N
XLogP0.71
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.91
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride
CID 119643055
2,2-dimethyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 81367181
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide
CID 81484905
N-(2-amino-2-ethylbutyl)thiane-4-carboxamide
CID 119643378
N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 119639873
N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 48861702
1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 7255930
N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide
CID 115305764
3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369311
2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 106107966
1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 46516639
N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119643117

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride (CID 119642002) is N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)C1CCN(S(C)(=O)=O)CC1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is GCZFPANVHNJLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S.ClH/c1-4-13(14,5-2)10-15-12(17)11-6-8-16(9-7-11)20(3,18)19;/h11H,4-10,14H2,1-3H3,(H,15,17);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 341.91 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119642002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).