3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride

C10H24ClN3O2S — CID 119959504

IUPAC3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride
SMILESCCCCN(C)S(=O)(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C10H23N3O2S.ClH/c1-3-4-7-12(2)16(14,15)13-8-5-6-10(11)9-13;/h10H,3-9,11H2,1-2H3;1H
InChIKeyZALOOZBXIAQKBG-UHFFFAOYSA-N
MW285.84 g/mol
LogP0.81
Rot. Bonds5

About 3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride

3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride (PubChem CID 119959504) has the molecular formula C10H24ClN3O2S and a molecular weight of 285.84 g/mol. Its IUPAC name is 3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride
PubChem CID119959504
Molecular FormulaC10H24ClN3O2S
Molecular Weight285.84 g/mol
Exact Mass285.13
IUPAC Name3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride
SMILESCCCCN(C)S(=O)(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C10H23N3O2S.ClH/c1-3-4-7-12(2)16(14,15)13-8-5-6-10(11)9-13;/h10H,3-9,11H2,1-2H3;1H
InChIKeyZALOOZBXIAQKBG-UHFFFAOYSA-N
XLogP0.81
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
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4-amino-N-methyl-N-propylpiperidine-1-sulfonamide
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N-butyl-4a-hydroxy-N-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-sulfonamide
CID 81103069
(3S)-N-butyl-N-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-sulfonamide
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N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide
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3-amino-N-propylpiperidine-1-sulfonamide
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(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
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CID 102984338

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride?
The IUPAC name of 3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride (CID 119959504) is 3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride?
The canonical SMILES for 3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride is CCCCN(C)S(=O)(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride?
The InChIKey is ZALOOZBXIAQKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S.ClH/c1-3-4-7-12(2)16(14,15)13-8-5-6-10(11)9-13;/h10H,3-9,11H2,1-2H3;1H.
What are the key properties of 3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride?
3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride has a molecular weight of 285.84 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119959504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).