N-(2-piperidin-4-ylpropyl)propane-2-sulfonamide

C11H24N2O2S — CID 18313713

IUPACN-(2-piperidin-4-ylpropyl)propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCNCC1
InChIInChI=1S/C11H24N2O2S/c1-9(2)16(14,15)13-8-10(3)11-4-6-12-7-5-11/h9-13H,4-8H2,1-3H3
InChIKeyIJQAFSOVTXLJFE-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.95
Rot. Bonds5

About N-(2-piperidin-4-ylpropyl)propane-2-sulfonamide

N-(2-piperidin-4-ylpropyl)propane-2-sulfonamide (PubChem CID 18313713) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(2-piperidin-4-ylpropyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-piperidin-4-ylpropyl)propane-2-sulfonamide
PubChem CID18313713
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-(2-piperidin-4-ylpropyl)propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCNCC1
InChIInChI=1S/C11H24N2O2S/c1-9(2)16(14,15)13-8-10(3)11-4-6-12-7-5-11/h9-13H,4-8H2,1-3H3
InChIKeyIJQAFSOVTXLJFE-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-4-ylpropyl)propane-2-sulfonamide?
The IUPAC name of N-(2-piperidin-4-ylpropyl)propane-2-sulfonamide (CID 18313713) is N-(2-piperidin-4-ylpropyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-piperidin-4-ylpropyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-piperidin-4-ylpropyl)propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)C1CCNCC1.
What is the InChIKey of N-(2-piperidin-4-ylpropyl)propane-2-sulfonamide?
The InChIKey is IJQAFSOVTXLJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9(2)16(14,15)13-8-10(3)11-4-6-12-7-5-11/h9-13H,4-8H2,1-3H3.
What are the key properties of N-(2-piperidin-4-ylpropyl)propane-2-sulfonamide?
N-(2-piperidin-4-ylpropyl)propane-2-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-4-ylpropyl)propane-2-sulfonamide is sourced from PubChem (CID 18313713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).