2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide

C10H19NO4S2 — CID 65109525

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO4S2/c1-10(2,13)7-11-9(12)5-16-8-3-4-17(14,15)6-8/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyAMUFEYDCWOSISI-UHFFFAOYSA-N
MW281.40 g/mol
LogP-0.21
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 65109525) has the molecular formula C10H19NO4S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID65109525
Molecular FormulaC10H19NO4S2
Molecular Weight281.40 g/mol
Exact Mass281.08
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO4S2/c1-10(2,13)7-11-9(12)5-16-8-3-4-17(14,15)6-8/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyAMUFEYDCWOSISI-UHFFFAOYSA-N
XLogP-0.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 5-0.21
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-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide (CID 65109525) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide is CC(C)(O)CNC(=O)CSC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is AMUFEYDCWOSISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S2/c1-10(2,13)7-11-9(12)5-16-8-3-4-17(14,15)6-8/h8,13H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 281.40 g/mol, XLogP of -0.21, 5 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-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 65109525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).