3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride

C11H25ClN2O2S — CID 120724931

IUPAC3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride
SMILESCC(C)CCS(=O)(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C11H24N2O2S.ClH/c1-9(2)5-7-16(14,15)13-11-4-6-12-8-10(11)3;/h9-13H,4-8H2,1-3H3;1H
InChIKeyZYCOIBNHQZZCJU-UHFFFAOYSA-N
MW284.85 g/mol
LogP1.37
Rot. Bonds5

About 3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride

3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride (PubChem CID 120724931) has the molecular formula C11H25ClN2O2S and a molecular weight of 284.85 g/mol. Its IUPAC name is 3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride
PubChem CID120724931
Molecular FormulaC11H25ClN2O2S
Molecular Weight284.85 g/mol
Exact Mass284.13
IUPAC Name3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride
SMILESCC(C)CCS(=O)(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C11H24N2O2S.ClH/c1-9(2)5-7-16(14,15)13-11-4-6-12-8-10(11)3;/h9-13H,4-8H2,1-3H3;1H
InChIKeyZYCOIBNHQZZCJU-UHFFFAOYSA-N
XLogP1.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.85
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide
CID 79887328
4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide
CID 99920907
2-ethoxy-N-(3-methylpiperidin-4-yl)ethanesulfonamide
CID 79886103
(3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine
CID 99714412
3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide
CID 106995821
N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride
CID 120723171
N-(2-aminocyclopentyl)-3-methylbutane-1-sulfonamide
CID 63857525
2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
CID 64816256
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276
3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
CID 63855498
N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
(3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide
CID 129431135

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride?
The IUPAC name of 3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride (CID 120724931) is 3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride is CC(C)CCS(=O)(=O)NC1CCNCC1C.Cl.
What is the InChIKey of 3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride?
The InChIKey is ZYCOIBNHQZZCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S.ClH/c1-9(2)5-7-16(14,15)13-11-4-6-12-8-10(11)3;/h9-13H,4-8H2,1-3H3;1H.
What are the key properties of 3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride?
3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride has a molecular weight of 284.85 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120724931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).