2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide

C11H24N2O2S — CID 63688048

IUPAC2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)(C)C)C1CCNCC1
InChIInChI=1S/C11H24N2O2S/c1-9(10-5-7-12-8-6-10)13-16(14,15)11(2,3)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyKXHKIEBENBNOAV-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.09
Rot. Bonds3

About 2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide

2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide (PubChem CID 63688048) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide
PubChem CID63688048
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)(C)C)C1CCNCC1
InChIInChI=1S/C11H24N2O2S/c1-9(10-5-7-12-8-6-10)13-16(14,15)11(2,3)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyKXHKIEBENBNOAV-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide (CID 63688048) is 2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide is CC(NS(=O)(=O)C(C)(C)C)C1CCNCC1.
What is the InChIKey of 2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide?
The InChIKey is KXHKIEBENBNOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9(10-5-7-12-8-6-10)13-16(14,15)11(2,3)4/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide?
2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide is sourced from PubChem (CID 63688048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).