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

C8H15NO4S2 — CID 43392578

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxyethyl)acetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)NCCO
InChIInChI=1S/C8H15NO4S2/c10-3-2-9-8(11)5-14-7-1-4-15(12,13)6-7/h7,10H,1-6H2,(H,9,11)
InChIKeyGZWCRSDISPRTGP-UHFFFAOYSA-N
MW253.34 g/mol
LogP-0.98
Rot. Bonds5

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

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxyethyl)acetamide (PubChem CID 43392578) has the molecular formula C8H15NO4S2 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxyethyl)acetamide
PubChem CID43392578
Molecular FormulaC8H15NO4S2
Molecular Weight253.34 g/mol
Exact Mass253.04
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxyethyl)acetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)NCCO
InChIInChI=1S/C8H15NO4S2/c10-3-2-9-8(11)5-14-7-1-4-15(12,13)6-7/h7,10H,1-6H2,(H,9,11)
InChIKeyGZWCRSDISPRTGP-UHFFFAOYSA-N
XLogP-0.98
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 5-0.98
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-hydroxyethyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxyethyl)acetamide (CID 43392578) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxyethyl)acetamide is O=C(CSC1CCS(=O)(=O)C1)NCCO.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is GZWCRSDISPRTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S2/c10-3-2-9-8(11)5-14-7-1-4-15(12,13)6-7/h7,10H,1-6H2,(H,9,11).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxyethyl)acetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 253.34 g/mol, XLogP of -0.98, 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-hydroxyethyl)acetamide is sourced from PubChem (CID 43392578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).