N-(oxan-4-ylmethyl)ethanesulfonamide

C8H17NO3S — CID 62351914

IUPACN-(oxan-4-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-2-13(10,11)9-7-8-3-5-12-6-4-8/h8-9H,2-7H2,1H3
InChIKeyZEUATQZYCBUMFZ-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.35
Rot. Bonds4

About N-(oxan-4-ylmethyl)ethanesulfonamide

N-(oxan-4-ylmethyl)ethanesulfonamide (PubChem CID 62351914) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)ethanesulfonamide
PubChem CID62351914
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-(oxan-4-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-2-13(10,11)9-7-8-3-5-12-6-4-8/h8-9H,2-7H2,1H3
InChIKeyZEUATQZYCBUMFZ-UHFFFAOYSA-N
XLogP0.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)ethanesulfonamide?
The IUPAC name of N-(oxan-4-ylmethyl)ethanesulfonamide (CID 62351914) is N-(oxan-4-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-(oxan-4-ylmethyl)ethanesulfonamide is CCS(=O)(=O)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)ethanesulfonamide?
The InChIKey is ZEUATQZYCBUMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-13(10,11)9-7-8-3-5-12-6-4-8/h8-9H,2-7H2,1H3.
What are the key properties of N-(oxan-4-ylmethyl)ethanesulfonamide?
N-(oxan-4-ylmethyl)ethanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 62351914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).