4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol

C8H16N2O6S2 — CID 3831220

IUPAC4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NNC2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C8H16N2O6S2/c11-7-3-17(13,14)1-5(7)9-10-6-2-18(15,16)4-8(6)12/h5-12H,1-4H2
InChIKeyVMFLIANSPJLKSS-UHFFFAOYSA-N
MW300.36 g/mol
LogP-3.60
Rot. Bonds3

About 4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol

4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol (PubChem CID 3831220) has the molecular formula C8H16N2O6S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol
PubChem CID3831220
Molecular FormulaC8H16N2O6S2
Molecular Weight300.36 g/mol
Exact Mass300.04
IUPAC Name4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NNC2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C8H16N2O6S2/c11-7-3-17(13,14)1-5(7)9-10-6-2-18(15,16)4-8(6)12/h5-12H,1-4H2
InChIKeyVMFLIANSPJLKSS-UHFFFAOYSA-N
XLogP-3.60
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-3.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid
CID 6354533
(3S,4S)-1,1-dioxothiolane-3,4-diol
CID 7059048
4-(ethylamino)-1,1-dioxothiolan-3-ol
CID 6484129
(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol
CID 7138714
(3S,4R)-4-(cycloheptylamino)-1,1-dioxothiolan-3-ol
CID 51889318
4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol
CID 61166838
(3R,4R)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
CID 1239637
(3S,4S)-4-(benzhydrylamino)-1,1-dioxothiolan-3-ol
CID 129323198
1-[[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]-3-phenylthiourea
CID 1369641
(3S,4S)-4-(3-hydroxypropylamino)-1,1-dioxothiolan-3-ol
CID 6347765
(3R,4R)-1,1-dioxo-4-(prop-2-ynylamino)thiolan-3-ol
CID 51889343
4-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]benzoic acid
CID 95795312

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol (CID 3831220) is 4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(NNC2CS(=O)(=O)CC2O)C1.
What is the InChIKey of 4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol?
The InChIKey is VMFLIANSPJLKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O6S2/c11-7-3-17(13,14)1-5(7)9-10-6-2-18(15,16)4-8(6)12/h5-12H,1-4H2.
What are the key properties of 4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol?
4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol has a molecular weight of 300.36 g/mol, XLogP of -3.60, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 3831220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).