N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide

C12H23NO4S — CID 75439666

IUPACN-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide
SMILESCC1CC(NS(=O)(=O)CCC2CCCO2)CCO1
InChIInChI=1S/C12H23NO4S/c1-10-9-11(4-7-16-10)13-18(14,15)8-5-12-3-2-6-17-12/h10-13H,2-9H2,1H3
InChIKeyXGQOHPKXRRSKPS-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.04
Rot. Bonds5

About N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide

N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide (PubChem CID 75439666) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide
PubChem CID75439666
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC NameN-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide
SMILESCC1CC(NS(=O)(=O)CCC2CCCO2)CCO1
InChIInChI=1S/C12H23NO4S/c1-10-9-11(4-7-16-10)13-18(14,15)8-5-12-3-2-6-17-12/h10-13H,2-9H2,1H3
InChIKeyXGQOHPKXRRSKPS-UHFFFAOYSA-N
XLogP1.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide?
The IUPAC name of N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide (CID 75439666) is N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide is CC1CC(NS(=O)(=O)CCC2CCCO2)CCO1.
What is the InChIKey of N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide?
The InChIKey is XGQOHPKXRRSKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-10-9-11(4-7-16-10)13-18(14,15)8-5-12-3-2-6-17-12/h10-13H,2-9H2,1H3.
What are the key properties of N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide?
N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide has a molecular weight of 277.39 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide is sourced from PubChem (CID 75439666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).