N-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride

C12H26ClN3O2S — CID 119986760

IUPACN-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride
SMILESCC1CC(C)CN(S(=O)(=O)NC(CN)C2CC2)C1.Cl
InChIInChI=1S/C12H25N3O2S.ClH/c1-9-5-10(2)8-15(7-9)18(16,17)14-12(6-13)11-3-4-11;/h9-12,14H,3-8,13H2,1-2H3;1H
InChIKeyBRUMHDHLYKAIHX-UHFFFAOYSA-N
MW311.88 g/mol
LogP0.96
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride (PubChem CID 119986760) has the molecular formula C12H26ClN3O2S and a molecular weight of 311.88 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride
PubChem CID119986760
Molecular FormulaC12H26ClN3O2S
Molecular Weight311.88 g/mol
Exact Mass311.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride
SMILESCC1CC(C)CN(S(=O)(=O)NC(CN)C2CC2)C1.Cl
InChIInChI=1S/C12H25N3O2S.ClH/c1-9-5-10(2)8-15(7-9)18(16,17)14-12(6-13)11-3-4-11;/h9-12,14H,3-8,13H2,1-2H3;1H
InChIKeyBRUMHDHLYKAIHX-UHFFFAOYSA-N
XLogP0.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2,6-dimethylmorpholine-4-sulfonamide
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N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
CID 63888346
3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide
CID 134034359
N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43603509
1-cyclopropyl-N-(methylsulfamoyl)ethane-1,2-diamine
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3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride
CID 119973056
N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119986541
3,5-dimethylpiperidine-1-sulfonamide
CID 43132027
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
3,5-dimethyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 134062148
N-(2-amino-1-cyclopentylethyl)ethanesulfonamide
CID 106737875
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride (CID 119986760) is N-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride is CC1CC(C)CN(S(=O)(=O)NC(CN)C2CC2)C1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride?
The InChIKey is BRUMHDHLYKAIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S.ClH/c1-9-5-10(2)8-15(7-9)18(16,17)14-12(6-13)11-3-4-11;/h9-12,14H,3-8,13H2,1-2H3;1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride has a molecular weight of 311.88 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119986760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).