4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol

C6H13NO4S — CID 3093516

IUPAC4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCCO)C1
InChIInChI=1S/C6H13NO4S/c8-2-1-7-5-3-12(10,11)4-6(5)9/h5-9H,1-4H2
InChIKeyNAEPTSKEUROVQX-UHFFFAOYSA-N
MW195.24 g/mol
LogP-2.27
Rot. Bonds3

About 4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol

4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol (PubChem CID 3093516) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol
PubChem CID3093516
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCCO)C1
InChIInChI=1S/C6H13NO4S/c8-2-1-7-5-3-12(10,11)4-6(5)9/h5-9H,1-4H2
InChIKeyNAEPTSKEUROVQX-UHFFFAOYSA-N
XLogP-2.27
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-2.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol (CID 3093516) is 4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(NCCO)C1.
What is the InChIKey of 4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is NAEPTSKEUROVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c8-2-1-7-5-3-12(10,11)4-6(5)9/h5-9H,1-4H2.
What are the key properties of 4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol?
4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 195.24 g/mol, XLogP of -2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 3093516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).