2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide

C9H17NO4S — CID 136518749

IUPAC2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide
SMILESCCS(=O)(=O)CC(=O)NC1CCOC1C
InChIInChI=1S/C9H17NO4S/c1-3-15(12,13)6-9(11)10-8-4-5-14-7(8)2/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeySGZXHXJHCILZDU-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.29
Rot. Bonds4

About 2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide

2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide (PubChem CID 136518749) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide
PubChem CID136518749
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide
SMILESCCS(=O)(=O)CC(=O)NC1CCOC1C
InChIInChI=1S/C9H17NO4S/c1-3-15(12,13)6-9(11)10-8-4-5-14-7(8)2/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeySGZXHXJHCILZDU-UHFFFAOYSA-N
XLogP-0.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide?
The IUPAC name of 2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide (CID 136518749) is 2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide?
The canonical SMILES for 2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide is CCS(=O)(=O)CC(=O)NC1CCOC1C.
What is the InChIKey of 2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide?
The InChIKey is SGZXHXJHCILZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-3-15(12,13)6-9(11)10-8-4-5-14-7(8)2/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide?
2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide has a molecular weight of 235.30 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide is sourced from PubChem (CID 136518749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).