2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride

C11H25ClN2O2S — CID 119968659

IUPAC2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
SMILESCCC(C)CS(=O)(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C11H24N2O2S.ClH/c1-3-10(2)9-16(14,15)13-8-11-5-4-6-12-7-11;/h10-13H,3-9H2,1-2H3;1H
InChIKeyLBHAADZHKXQSCI-UHFFFAOYSA-N
MW284.85 g/mol
LogP1.37
Rot. Bonds6

About 2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride

2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride (PubChem CID 119968659) has the molecular formula C11H25ClN2O2S and a molecular weight of 284.85 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
PubChem CID119968659
Molecular FormulaC11H25ClN2O2S
Molecular Weight284.85 g/mol
Exact Mass284.13
IUPAC Name2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
SMILESCCC(C)CS(=O)(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C11H24N2O2S.ClH/c1-3-10(2)9-16(14,15)13-8-11-5-4-6-12-7-11;/h10-13H,3-9H2,1-2H3;1H
InChIKeyLBHAADZHKXQSCI-UHFFFAOYSA-N
XLogP1.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
CID 63855498
N-(piperidin-3-ylmethylsulfamoyl)propan-2-amine
CID 114807423
(3R)-3-[(2S)-2-methylbutyl]piperidine
CID 11744861
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968538
4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
CID 120874709
N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide
CID 124681889
1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968347
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide;hydrochloride
CID 119979578
2-(2-methylpropylsulfonyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119464478
N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride
CID 71637453

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride?
The IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride (CID 119968659) is 2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride?
The canonical SMILES for 2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride is CCC(C)CS(=O)(=O)NCC1CCCNC1.Cl.
What is the InChIKey of 2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride?
The InChIKey is LBHAADZHKXQSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S.ClH/c1-3-10(2)9-16(14,15)13-8-11-5-4-6-12-7-11;/h10-13H,3-9H2,1-2H3;1H.
What are the key properties of 2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride?
2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride has a molecular weight of 284.85 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119968659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).