N'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide

C11H14N4OS2 — CID 135391369

IUPACN'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide
SMILESO=C(CN1CNC(=S)SC1)NNc1ccccc1
InChIInChI=1S/C11H14N4OS2/c16-10(6-15-7-12-11(17)18-8-15)14-13-9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H,12,17)(H,14,16)
InChIKeySMKPYEIRWLLZLR-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.97
Rot. Bonds4

About N'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide

N'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide (PubChem CID 135391369) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide
PubChem CID135391369
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC NameN'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide
SMILESO=C(CN1CNC(=S)SC1)NNc1ccccc1
InChIInChI=1S/C11H14N4OS2/c16-10(6-15-7-12-11(17)18-8-15)14-13-9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H,12,17)(H,14,16)
InChIKeySMKPYEIRWLLZLR-UHFFFAOYSA-N
XLogP0.97
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide?
The IUPAC name of N'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide (CID 135391369) is N'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide.
What is the SMILES notation for N'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide?
The canonical SMILES for N'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide is O=C(CN1CNC(=S)SC1)NNc1ccccc1.
What is the InChIKey of N'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide?
The InChIKey is SMKPYEIRWLLZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c16-10(6-15-7-12-11(17)18-8-15)14-13-9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H,12,17)(H,14,16).
What are the key properties of N'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide?
N'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide has a molecular weight of 282.39 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-2-(6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetohydrazide is sourced from PubChem (CID 135391369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).