(4R)-2,2-dioxooxathiolan-4-amine

C3H7NO3S — CID 131187842

IUPAC(4R)-2,2-dioxooxathiolan-4-amine
SMILESN[C@@H]1COS(=O)(=O)C1
InChIInChI=1S/C3H7NO3S/c4-3-1-7-8(5,6)2-3/h3H,1-2,4H2/t3-/m1/s1
InChIKeyUPQLPPZMWCBFOH-GSVOUGTGSA-N
MW137.16 g/mol
LogP-1.33
Rot. Bonds

About (4R)-2,2-dioxooxathiolan-4-amine

(4R)-2,2-dioxooxathiolan-4-amine (PubChem CID 131187842) has the molecular formula C3H7NO3S and a molecular weight of 137.16 g/mol. Its IUPAC name is (4R)-2,2-dioxooxathiolan-4-amine.

Molecular Properties

Compound Name(4R)-2,2-dioxooxathiolan-4-amine
PubChem CID131187842
Molecular FormulaC3H7NO3S
Molecular Weight137.16 g/mol
Exact Mass137.01
IUPAC Name(4R)-2,2-dioxooxathiolan-4-amine
SMILESN[C@@H]1COS(=O)(=O)C1
InChIInChI=1S/C3H7NO3S/c4-3-1-7-8(5,6)2-3/h3H,1-2,4H2/t3-/m1/s1
InChIKeyUPQLPPZMWCBFOH-GSVOUGTGSA-N
XLogP-1.33
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

4-ethoxyoxathiolane 2,2-dioxide
CID 166918828
4-dimethoxyphosphoryloxathiolane 2,2-dioxide
CID 156632531
5-(fluoromethyl)oxathiane 2,2-dioxide
CID 159333894
3-(methylsulfanylmethyl)-2,2-dioxooxathian-5-amine
CID 142784255
(2,2-dioxooxathiolan-4-yl) 2-methylprop-2-enoate
CID 90002294
(2,2-dioxooxathiolan-4-yl) but-2-enoate
CID 123288602
(3S)-5,5-dioxo-3,4-dihydro-2H-1,5λ6-benzoxathiepin-3-amine
CID 124710328
(2,2-dioxooxathiolan-4-yl) dipropyl phosphate
CID 90002792
6-fluorooxathiepane 2,2-dioxide
CID 89251329
(3R)-1,1-dioxothiolan-3-amine;hydrochloride
CID 67041261
(2,2-dioxooxathiolan-4-yl) prop-2-ynyl sulfate
CID 155228865
4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide
CID 172548148

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dioxooxathiolan-4-amine?
The IUPAC name of (4R)-2,2-dioxooxathiolan-4-amine (CID 131187842) is (4R)-2,2-dioxooxathiolan-4-amine.
What is the SMILES notation for (4R)-2,2-dioxooxathiolan-4-amine?
The canonical SMILES for (4R)-2,2-dioxooxathiolan-4-amine is N[C@@H]1COS(=O)(=O)C1.
What is the InChIKey of (4R)-2,2-dioxooxathiolan-4-amine?
The InChIKey is UPQLPPZMWCBFOH-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H7NO3S/c4-3-1-7-8(5,6)2-3/h3H,1-2,4H2/t3-/m1/s1.
What are the key properties of (4R)-2,2-dioxooxathiolan-4-amine?
(4R)-2,2-dioxooxathiolan-4-amine has a molecular weight of 137.16 g/mol, XLogP of -1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dioxooxathiolan-4-amine is sourced from PubChem (CID 131187842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).