3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide

C11H24N2O2S — CID 106995821

IUPAC3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1CCNC(C)C1
InChIInChI=1S/C11H24N2O2S/c1-9(2)5-7-16(14,15)13-11-4-6-12-10(3)8-11/h9-13H,4-8H2,1-3H3
InChIKeyZZJGFUNUGNYDHG-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.09
Rot. Bonds5

About 3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide

3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide (PubChem CID 106995821) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide
PubChem CID106995821
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1CCNC(C)C1
InChIInChI=1S/C11H24N2O2S/c1-9(2)5-7-16(14,15)13-11-4-6-12-10(3)8-11/h9-13H,4-8H2,1-3H3
InChIKeyZZJGFUNUGNYDHG-UHFFFAOYSA-N
XLogP1.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxycyclohexyl)-3-methylbutane-1-sulfonamide
CID 63856243
2-methyl-N-(methylsulfamoyl)piperidin-4-amine
CID 106995824
N-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide
CID 156532116
N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 120586143
3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride
CID 120724931
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide
CID 78942691
(2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine
CID 95913690
N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide
CID 106995874
N-(2-methylpiperidin-4-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 120598489
2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
CID 64816256
N-(2-aminocyclopentyl)-3-methylbutane-1-sulfonamide
CID 63857525
N-(3-amino-2,2-dimethylcyclobutyl)-3-methylbutane-1-sulfonamide
CID 114632559

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide?
The IUPAC name of 3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide (CID 106995821) is 3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide?
The canonical SMILES for 3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide is CC(C)CCS(=O)(=O)NC1CCNC(C)C1.
What is the InChIKey of 3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide?
The InChIKey is ZZJGFUNUGNYDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9(2)5-7-16(14,15)13-11-4-6-12-10(3)8-11/h9-13H,4-8H2,1-3H3.
What are the key properties of 3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide?
3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide is sourced from PubChem (CID 106995821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).