3-ethylsulfonyl-N-(oxan-3-yl)propanamide

C10H19NO4S — CID 176706473

IUPAC3-ethylsulfonyl-N-(oxan-3-yl)propanamide
SMILESCCS(=O)(=O)CCC(=O)NC1CCCOC1
InChIInChI=1S/C10H19NO4S/c1-2-16(13,14)7-5-10(12)11-9-4-3-6-15-8-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyWCBHDXVYIUAHPI-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.11
Rot. Bonds5

About 3-ethylsulfonyl-N-(oxan-3-yl)propanamide

3-ethylsulfonyl-N-(oxan-3-yl)propanamide (PubChem CID 176706473) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-(oxan-3-yl)propanamide.

Molecular Properties

Compound Name3-ethylsulfonyl-N-(oxan-3-yl)propanamide
PubChem CID176706473
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name3-ethylsulfonyl-N-(oxan-3-yl)propanamide
SMILESCCS(=O)(=O)CCC(=O)NC1CCCOC1
InChIInChI=1S/C10H19NO4S/c1-2-16(13,14)7-5-10(12)11-9-4-3-6-15-8-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyWCBHDXVYIUAHPI-UHFFFAOYSA-N
XLogP0.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-(oxan-3-yl)propanamide?
The IUPAC name of 3-ethylsulfonyl-N-(oxan-3-yl)propanamide (CID 176706473) is 3-ethylsulfonyl-N-(oxan-3-yl)propanamide.
What is the SMILES notation for 3-ethylsulfonyl-N-(oxan-3-yl)propanamide?
The canonical SMILES for 3-ethylsulfonyl-N-(oxan-3-yl)propanamide is CCS(=O)(=O)CCC(=O)NC1CCCOC1.
What is the InChIKey of 3-ethylsulfonyl-N-(oxan-3-yl)propanamide?
The InChIKey is WCBHDXVYIUAHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-2-16(13,14)7-5-10(12)11-9-4-3-6-15-8-9/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of 3-ethylsulfonyl-N-(oxan-3-yl)propanamide?
3-ethylsulfonyl-N-(oxan-3-yl)propanamide has a molecular weight of 249.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-(oxan-3-yl)propanamide is sourced from PubChem (CID 176706473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).