[(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium

C8H16NO5S2+ — CID 11883869

IUPAC[(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium
SMILESO=S1(=O)CC[C@H]([NH2+][C@H]2CS(=O)(=O)C[C@@H]2O)C1
InChIInChI=1S/C8H15NO5S2/c10-8-5-16(13,14)4-7(8)9-6-1-2-15(11,12)3-6/h6-10H,1-5H2/p+1/t6-,7-,8-/m0/s1
InChIKeyGRTBOTLWGXONSB-FXQIFTODSA-O
MW270.35 g/mol
LogP-3.11
Rot. Bonds2

About [(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium

[(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium (PubChem CID 11883869) has the molecular formula C8H16NO5S2+ and a molecular weight of 270.35 g/mol. Its IUPAC name is [(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium.

Molecular Properties

Compound Name[(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium
PubChem CID11883869
Molecular FormulaC8H16NO5S2+
Molecular Weight270.35 g/mol
Exact Mass270.05
IUPAC Name[(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium
SMILESO=S1(=O)CC[C@H]([NH2+][C@H]2CS(=O)(=O)C[C@@H]2O)C1
InChIInChI=1S/C8H15NO5S2/c10-8-5-16(13,14)4-7(8)9-6-1-2-15(11,12)3-6/h6-10H,1-5H2/p+1/t6-,7-,8-/m0/s1
InChIKeyGRTBOTLWGXONSB-FXQIFTODSA-O
XLogP-3.11
TPSA105.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 5-3.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium with MolForge

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Related Compounds

(3S,4S)-1,1-dioxothiolane-3,4-diol
CID 7059048
[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium
CID 7059078
(4-hydroxy-1,1-dioxothiolan-3-yl)-(3-hydroxypropyl)azanium
CID 5061106
(1,1-dioxothiolan-3-yl)-(3-hydroxyphenyl)azanium chloride
CID 21206268
(2-chlorophenyl)-(4-hydroxy-1,1-dioxothiolan-3-yl)azanium
CID 3347303
4-hydroxy-1,1-dioxothiane-3-carboxylic acid
CID 82401360
2-(3-hydroxy-1,1-dioxothian-4-yl)acetonitrile
CID 105443637
4-(2-fluoropropyl)-1,1-dioxothian-3-ol
CID 115026931
(3S,4R)-4-amino-1,1-dioxothiolan-3-ol
CID 1380000
8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739939
tert-butyl N-[(3S,4R)-3-hydroxy-1,1-dioxothian-4-yl]carbamate
CID 178017060
2-[(3S)-1,1-dioxothiolan-3-yl]ethanol
CID 39871724

Frequently Asked Questions

What is the IUPAC name of [(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium?
The IUPAC name of [(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium (CID 11883869) is [(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium.
What is the SMILES notation for [(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium?
The canonical SMILES for [(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium is O=S1(=O)CC[C@H]([NH2+][C@H]2CS(=O)(=O)C[C@@H]2O)C1.
What is the InChIKey of [(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium?
The InChIKey is GRTBOTLWGXONSB-FXQIFTODSA-O. The full InChI is InChI=1S/C8H15NO5S2/c10-8-5-16(13,14)4-7(8)9-6-1-2-15(11,12)3-6/h6-10H,1-5H2/p+1/t6-,7-,8-/m0/s1.
What are the key properties of [(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium?
[(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium has a molecular weight of 270.35 g/mol, XLogP of -3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1,1-dioxothiolan-3-yl]-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]azanium is sourced from PubChem (CID 11883869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).