2-(oxan-4-yl)propane-2-sulfonamide

C8H17NO3S — CID 70819579

IUPAC2-(oxan-4-yl)propane-2-sulfonamide
SMILESCC(C)(C1CCOCC1)S(N)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-8(2,13(9,10)11)7-3-5-12-6-4-7/h7H,3-6H2,1-2H3,(H2,9,10,11)
InChIKeySTLVBWKJEQXREG-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.48
Rot. Bonds2

About 2-(oxan-4-yl)propane-2-sulfonamide

2-(oxan-4-yl)propane-2-sulfonamide (PubChem CID 70819579) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(oxan-4-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name2-(oxan-4-yl)propane-2-sulfonamide
PubChem CID70819579
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-(oxan-4-yl)propane-2-sulfonamide
SMILESCC(C)(C1CCOCC1)S(N)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-8(2,13(9,10)11)7-3-5-12-6-4-7/h7H,3-6H2,1-2H3,(H2,9,10,11)
InChIKeySTLVBWKJEQXREG-UHFFFAOYSA-N
XLogP0.48
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)propane-2-sulfonamide?
The IUPAC name of 2-(oxan-4-yl)propane-2-sulfonamide (CID 70819579) is 2-(oxan-4-yl)propane-2-sulfonamide.
What is the SMILES notation for 2-(oxan-4-yl)propane-2-sulfonamide?
The canonical SMILES for 2-(oxan-4-yl)propane-2-sulfonamide is CC(C)(C1CCOCC1)S(N)(=O)=O.
What is the InChIKey of 2-(oxan-4-yl)propane-2-sulfonamide?
The InChIKey is STLVBWKJEQXREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(2,13(9,10)11)7-3-5-12-6-4-7/h7H,3-6H2,1-2H3,(H2,9,10,11).
What are the key properties of 2-(oxan-4-yl)propane-2-sulfonamide?
2-(oxan-4-yl)propane-2-sulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)propane-2-sulfonamide is sourced from PubChem (CID 70819579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).