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

C9H17NO4S2 — CID 43500361

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)NCCCO
InChIInChI=1S/C9H17NO4S2/c11-4-1-3-10-9(12)6-15-8-2-5-16(13,14)7-8/h8,11H,1-7H2,(H,10,12)
InChIKeyRTNCDWXHPXGXIZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP-0.59
Rot. Bonds6

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

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxypropyl)acetamide (PubChem CID 43500361) has the molecular formula C9H17NO4S2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
PubChem CID43500361
Molecular FormulaC9H17NO4S2
Molecular Weight267.37 g/mol
Exact Mass267.06
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)NCCCO
InChIInChI=1S/C9H17NO4S2/c11-4-1-3-10-9(12)6-15-8-2-5-16(13,14)7-8/h8,11H,1-7H2,(H,10,12)
InChIKeyRTNCDWXHPXGXIZ-UHFFFAOYSA-N
XLogP-0.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxypropyl)acetamide (CID 43500361) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxypropyl)acetamide is O=C(CSC1CCS(=O)(=O)C1)NCCCO.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxypropyl)acetamide?
The InChIKey is RTNCDWXHPXGXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S2/c11-4-1-3-10-9(12)6-15-8-2-5-16(13,14)7-8/h8,11H,1-7H2,(H,10,12).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxypropyl)acetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxypropyl)acetamide has a molecular weight of 267.37 g/mol, XLogP of -0.59, 6 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-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 43500361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).