(3R)-1,1-dioxothiolane-3-carbohydrazide

C5H10N2O3S — CID 7130879

IUPAC(3R)-1,1-dioxothiolane-3-carbohydrazide
SMILESNNC(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C5H10N2O3S/c6-7-5(8)4-1-2-11(9,10)3-4/h4H,1-3,6H2,(H,7,8)/t4-/m0/s1
InChIKeyYHRCALKARIMHPT-BYPYZUCNSA-N
MW178.21 g/mol
LogP-1.59
Rot. Bonds1

About (3R)-1,1-dioxothiolane-3-carbohydrazide

(3R)-1,1-dioxothiolane-3-carbohydrazide (PubChem CID 7130879) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is (3R)-1,1-dioxothiolane-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-1,1-dioxothiolane-3-carbohydrazide
PubChem CID7130879
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name(3R)-1,1-dioxothiolane-3-carbohydrazide
SMILESNNC(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C5H10N2O3S/c6-7-5(8)4-1-2-11(9,10)3-4/h4H,1-3,6H2,(H,7,8)/t4-/m0/s1
InChIKeyYHRCALKARIMHPT-BYPYZUCNSA-N
XLogP-1.59
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-dioxothiolane-3-carbohydrazide?
The IUPAC name of (3R)-1,1-dioxothiolane-3-carbohydrazide (CID 7130879) is (3R)-1,1-dioxothiolane-3-carbohydrazide.
What is the SMILES notation for (3R)-1,1-dioxothiolane-3-carbohydrazide?
The canonical SMILES for (3R)-1,1-dioxothiolane-3-carbohydrazide is NNC(=O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-1,1-dioxothiolane-3-carbohydrazide?
The InChIKey is YHRCALKARIMHPT-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N2O3S/c6-7-5(8)4-1-2-11(9,10)3-4/h4H,1-3,6H2,(H,7,8)/t4-/m0/s1.
What are the key properties of (3R)-1,1-dioxothiolane-3-carbohydrazide?
(3R)-1,1-dioxothiolane-3-carbohydrazide has a molecular weight of 178.21 g/mol, XLogP of -1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-dioxothiolane-3-carbohydrazide is sourced from PubChem (CID 7130879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).