2-amino-1-(1,1-dioxothiolan-2-yl)ethanol

C6H13NO3S — CID 115015443

IUPAC2-amino-1-(1,1-dioxothiolan-2-yl)ethanol
SMILESNCC(O)C1CCCS1(=O)=O
InChIInChI=1S/C6H13NO3S/c7-4-5(8)6-2-1-3-11(6,9)10/h5-6,8H,1-4,7H2
InChIKeyCYWZCUCRTQZXJE-UHFFFAOYSA-N
MW179.24 g/mol
LogP-1.12
Rot. Bonds2

About 2-amino-1-(1,1-dioxothiolan-2-yl)ethanol

2-amino-1-(1,1-dioxothiolan-2-yl)ethanol (PubChem CID 115015443) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-amino-1-(1,1-dioxothiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1,1-dioxothiolan-2-yl)ethanol
PubChem CID115015443
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2-amino-1-(1,1-dioxothiolan-2-yl)ethanol
SMILESNCC(O)C1CCCS1(=O)=O
InChIInChI=1S/C6H13NO3S/c7-4-5(8)6-2-1-3-11(6,9)10/h5-6,8H,1-4,7H2
InChIKeyCYWZCUCRTQZXJE-UHFFFAOYSA-N
XLogP-1.12
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,1-dioxothiolan-2-yl)ethanol?
The IUPAC name of 2-amino-1-(1,1-dioxothiolan-2-yl)ethanol (CID 115015443) is 2-amino-1-(1,1-dioxothiolan-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1,1-dioxothiolan-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(1,1-dioxothiolan-2-yl)ethanol is NCC(O)C1CCCS1(=O)=O.
What is the InChIKey of 2-amino-1-(1,1-dioxothiolan-2-yl)ethanol?
The InChIKey is CYWZCUCRTQZXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c7-4-5(8)6-2-1-3-11(6,9)10/h5-6,8H,1-4,7H2.
What are the key properties of 2-amino-1-(1,1-dioxothiolan-2-yl)ethanol?
2-amino-1-(1,1-dioxothiolan-2-yl)ethanol has a molecular weight of 179.24 g/mol, XLogP of -1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,1-dioxothiolan-2-yl)ethanol is sourced from PubChem (CID 115015443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).