N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide

C12H14N2O2S — CID 26798777

IUPACN'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide
SMILESCSc1ccccc1C(=O)NNC(=O)C1CC1
InChIInChI=1S/C12H14N2O2S/c1-17-10-5-3-2-4-9(10)12(16)14-13-11(15)8-6-7-8/h2-5,8H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyQVWOIQPXCWNYNZ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.58
Rot. Bonds3

About N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide

N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide (PubChem CID 26798777) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide
PubChem CID26798777
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide
SMILESCSc1ccccc1C(=O)NNC(=O)C1CC1
InChIInChI=1S/C12H14N2O2S/c1-17-10-5-3-2-4-9(10)12(16)14-13-11(15)8-6-7-8/h2-5,8H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyQVWOIQPXCWNYNZ-UHFFFAOYSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide (CID 26798777) is N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide is CSc1ccccc1C(=O)NNC(=O)C1CC1.
What is the InChIKey of N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide?
The InChIKey is QVWOIQPXCWNYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-17-10-5-3-2-4-9(10)12(16)14-13-11(15)8-6-7-8/h2-5,8H,6-7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide?
N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide has a molecular weight of 250.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-2-methylsulfanylbenzohydrazide is sourced from PubChem (CID 26798777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).