N'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide

C10H11N3O2S — CID 36706427

IUPACN'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1ccc[nH]c1=S
InChIInChI=1S/C10H11N3O2S/c14-8(6-3-4-6)12-13-9(15)7-2-1-5-11-10(7)16/h1-2,5-6H,3-4H2,(H,11,16)(H,12,14)(H,13,15)
InChIKeyWIKJJMPSTIPRMW-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.92
Rot. Bonds2

About N'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide

N'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide (PubChem CID 36706427) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide
PubChem CID36706427
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC NameN'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1ccc[nH]c1=S
InChIInChI=1S/C10H11N3O2S/c14-8(6-3-4-6)12-13-9(15)7-2-1-5-11-10(7)16/h1-2,5-6H,3-4H2,(H,11,16)(H,12,14)(H,13,15)
InChIKeyWIKJJMPSTIPRMW-UHFFFAOYSA-N
XLogP0.92
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

2-Sulfanylidene-1,2-dihydropyridine-3-carbohydrazide
CID 45116993
N'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 18167828
N'-(cyclopropanecarbonyl)-2-oxo-1H-pyridine-3-carbohydrazide
CID 34262980
N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 122236766
2-sulfanylidene-1H-pyridine-3-carbohydrazide;hydrochloride
CID 131110619

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide (CID 36706427) is N'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide is O=C(NNC(=O)C1CC1)c1ccc[nH]c1=S.
What is the InChIKey of N'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide?
The InChIKey is WIKJJMPSTIPRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c14-8(6-3-4-6)12-13-9(15)7-2-1-5-11-10(7)16/h1-2,5-6H,3-4H2,(H,11,16)(H,12,14)(H,13,15).
What are the key properties of N'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide?
N'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide has a molecular weight of 237.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 36706427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).