N-(oxan-4-yl)ethanesulfonamide

C7H15NO3S — CID 61356037

IUPACN-(oxan-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C7H15NO3S/c1-2-12(9,10)8-7-3-5-11-6-4-7/h7-8H,2-6H2,1H3
InChIKeyLSRSQOROJGLZGU-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.10
Rot. Bonds3

About N-(oxan-4-yl)ethanesulfonamide

N-(oxan-4-yl)ethanesulfonamide (PubChem CID 61356037) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-(oxan-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)ethanesulfonamide
PubChem CID61356037
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN-(oxan-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C7H15NO3S/c1-2-12(9,10)8-7-3-5-11-6-4-7/h7-8H,2-6H2,1H3
InChIKeyLSRSQOROJGLZGU-UHFFFAOYSA-N
XLogP0.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)ethanesulfonamide?
The IUPAC name of N-(oxan-4-yl)ethanesulfonamide (CID 61356037) is N-(oxan-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(oxan-4-yl)ethanesulfonamide?
The canonical SMILES for N-(oxan-4-yl)ethanesulfonamide is CCS(=O)(=O)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)ethanesulfonamide?
The InChIKey is LSRSQOROJGLZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-2-12(9,10)8-7-3-5-11-6-4-7/h7-8H,2-6H2,1H3.
What are the key properties of N-(oxan-4-yl)ethanesulfonamide?
N-(oxan-4-yl)ethanesulfonamide has a molecular weight of 193.27 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)ethanesulfonamide is sourced from PubChem (CID 61356037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).