N-(2,5-dimethyloxolan-3-yl)ethanesulfonamide

C8H17NO3S — CID 127004373

IUPACN-(2,5-dimethyloxolan-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC(C)OC1C
InChIInChI=1S/C8H17NO3S/c1-4-13(10,11)9-8-5-6(2)12-7(8)3/h6-9H,4-5H2,1-3H3
InChIKeyBMIRCFQFDIRBFX-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.49
Rot. Bonds3

About N-(2,5-dimethyloxolan-3-yl)ethanesulfonamide

N-(2,5-dimethyloxolan-3-yl)ethanesulfonamide (PubChem CID 127004373) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(2,5-dimethyloxolan-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethyloxolan-3-yl)ethanesulfonamide
PubChem CID127004373
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-(2,5-dimethyloxolan-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC(C)OC1C
InChIInChI=1S/C8H17NO3S/c1-4-13(10,11)9-8-5-6(2)12-7(8)3/h6-9H,4-5H2,1-3H3
InChIKeyBMIRCFQFDIRBFX-UHFFFAOYSA-N
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyloxolan-3-yl)ethanesulfonamide?
The IUPAC name of N-(2,5-dimethyloxolan-3-yl)ethanesulfonamide (CID 127004373) is N-(2,5-dimethyloxolan-3-yl)ethanesulfonamide.
What is the SMILES notation for N-(2,5-dimethyloxolan-3-yl)ethanesulfonamide?
The canonical SMILES for N-(2,5-dimethyloxolan-3-yl)ethanesulfonamide is CCS(=O)(=O)NC1CC(C)OC1C.
What is the InChIKey of N-(2,5-dimethyloxolan-3-yl)ethanesulfonamide?
The InChIKey is BMIRCFQFDIRBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-4-13(10,11)9-8-5-6(2)12-7(8)3/h6-9H,4-5H2,1-3H3.
What are the key properties of N-(2,5-dimethyloxolan-3-yl)ethanesulfonamide?
N-(2,5-dimethyloxolan-3-yl)ethanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyloxolan-3-yl)ethanesulfonamide is sourced from PubChem (CID 127004373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).