N-(2,2,4-trihydroxythiolan-3-yl)acetamide

C6H11NO4S — CID 173116756

IUPACN-(2,2,4-trihydroxythiolan-3-yl)acetamide
SMILESCC(=O)NC1C(O)CSC1(O)O
InChIInChI=1S/C6H11NO4S/c1-3(8)7-5-4(9)2-12-6(5,10)11/h4-5,9-11H,2H2,1H3,(H,7,8)
InChIKeyGTUNXJYUUCNYRB-UHFFFAOYSA-N
MW193.22 g/mol
LogP-1.76
Rot. Bonds1

About N-(2,2,4-trihydroxythiolan-3-yl)acetamide

N-(2,2,4-trihydroxythiolan-3-yl)acetamide (PubChem CID 173116756) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is N-(2,2,4-trihydroxythiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,2,4-trihydroxythiolan-3-yl)acetamide
PubChem CID173116756
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC NameN-(2,2,4-trihydroxythiolan-3-yl)acetamide
SMILESCC(=O)NC1C(O)CSC1(O)O
InChIInChI=1S/C6H11NO4S/c1-3(8)7-5-4(9)2-12-6(5,10)11/h4-5,9-11H,2H2,1H3,(H,7,8)
InChIKeyGTUNXJYUUCNYRB-UHFFFAOYSA-N
XLogP-1.76
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,4-trihydroxythiolan-3-yl)acetamide?
The IUPAC name of N-(2,2,4-trihydroxythiolan-3-yl)acetamide (CID 173116756) is N-(2,2,4-trihydroxythiolan-3-yl)acetamide.
What is the SMILES notation for N-(2,2,4-trihydroxythiolan-3-yl)acetamide?
The canonical SMILES for N-(2,2,4-trihydroxythiolan-3-yl)acetamide is CC(=O)NC1C(O)CSC1(O)O.
What is the InChIKey of N-(2,2,4-trihydroxythiolan-3-yl)acetamide?
The InChIKey is GTUNXJYUUCNYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-3(8)7-5-4(9)2-12-6(5,10)11/h4-5,9-11H,2H2,1H3,(H,7,8).
What are the key properties of N-(2,2,4-trihydroxythiolan-3-yl)acetamide?
N-(2,2,4-trihydroxythiolan-3-yl)acetamide has a molecular weight of 193.22 g/mol, XLogP of -1.76, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,4-trihydroxythiolan-3-yl)acetamide is sourced from PubChem (CID 173116756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).