2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide

C11H24N2O2S — CID 79887328

IUPAC2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide
SMILESCC1CNCCC1NS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C11H24N2O2S/c1-9-7-12-6-5-10(9)13-16(14,15)8-11(2,3)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyXBIBYQUVEZYSCE-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.95
Rot. Bonds3

About 2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide

2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide (PubChem CID 79887328) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide
PubChem CID79887328
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide
SMILESCC1CNCCC1NS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C11H24N2O2S/c1-9-7-12-6-5-10(9)13-16(14,15)8-11(2,3)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyXBIBYQUVEZYSCE-UHFFFAOYSA-N
XLogP0.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride
CID 120724931
4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide
CID 99920907
2,2-dimethyl-N-[(3-methylpiperidin-4-yl)methyl]propane-1-sulfonamide
CID 114700166
2-ethoxy-N-(3-methylpiperidin-4-yl)ethanesulfonamide
CID 79886103
(3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine
CID 99714412
N-(azetidin-3-yl)-2,2-dimethylpropane-1-sulfonamide
CID 66186773
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276
4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 124516981
5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725193
N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 124516977
3,5-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]-1H-pyrazole-4-sulfonamide
CID 124516985
methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate
CID 120724964

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide?
The IUPAC name of 2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide (CID 79887328) is 2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide?
The canonical SMILES for 2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide is CC1CNCCC1NS(=O)(=O)CC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide?
The InChIKey is XBIBYQUVEZYSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9-7-12-6-5-10(9)13-16(14,15)8-11(2,3)4/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide?
2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 79887328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).