2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide

C12H24N2O3S2 — CID 56782913

IUPAC2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide
SMILESCCC(CC)C(=O)NCCS(=O)(=O)N1CCSCC1
InChIInChI=1S/C12H24N2O3S2/c1-3-11(4-2)12(15)13-5-10-19(16,17)14-6-8-18-9-7-14/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyYHVXSNJCGCWZSR-UHFFFAOYSA-N
MW308.47 g/mol
LogP0.92
Rot. Bonds7

About 2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide

2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide (PubChem CID 56782913) has the molecular formula C12H24N2O3S2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide
PubChem CID56782913
Molecular FormulaC12H24N2O3S2
Molecular Weight308.47 g/mol
Exact Mass308.12
IUPAC Name2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide
SMILESCCC(CC)C(=O)NCCS(=O)(=O)N1CCSCC1
InChIInChI=1S/C12H24N2O3S2/c1-3-11(4-2)12(15)13-5-10-19(16,17)14-6-8-18-9-7-14/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyYHVXSNJCGCWZSR-UHFFFAOYSA-N
XLogP0.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide?
The IUPAC name of 2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide (CID 56782913) is 2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide?
The canonical SMILES for 2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide is CCC(CC)C(=O)NCCS(=O)(=O)N1CCSCC1.
What is the InChIKey of 2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide?
The InChIKey is YHVXSNJCGCWZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S2/c1-3-11(4-2)12(15)13-5-10-19(16,17)14-6-8-18-9-7-14/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide?
2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide has a molecular weight of 308.47 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide is sourced from PubChem (CID 56782913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).