2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide

C12H23NO4S2 — CID 65112545

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C12H23NO4S2/c1-3-12(15,4-2)9-13-11(14)7-18-10-5-6-19(16,17)8-10/h10,15H,3-9H2,1-2H3,(H,13,14)
InChIKeyVMTLJSGIJSVJFB-UHFFFAOYSA-N
MW309.45 g/mol
LogP0.57
Rot. Bonds7

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide (PubChem CID 65112545) has the molecular formula C12H23NO4S2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
PubChem CID65112545
Molecular FormulaC12H23NO4S2
Molecular Weight309.45 g/mol
Exact Mass309.11
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C12H23NO4S2/c1-3-12(15,4-2)9-13-11(14)7-18-10-5-6-19(16,17)8-10/h10,15H,3-9H2,1-2H3,(H,13,14)
InChIKeyVMTLJSGIJSVJFB-UHFFFAOYSA-N
XLogP0.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide (CID 65112545) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide is CCC(O)(CC)CNC(=O)CSC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide?
The InChIKey is VMTLJSGIJSVJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S2/c1-3-12(15,4-2)9-13-11(14)7-18-10-5-6-19(16,17)8-10/h10,15H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide has a molecular weight of 309.45 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide is sourced from PubChem (CID 65112545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).