2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide

C15H22N2OS — CID 63580703

IUPAC2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide
SMILESCC1CCCC(SCc2ccccc2C(=O)NN)C1
InChIInChI=1S/C15H22N2OS/c1-11-5-4-7-13(9-11)19-10-12-6-2-3-8-14(12)15(18)17-16/h2-3,6,8,11,13H,4-5,7,9-10,16H2,1H3,(H,17,18)
InChIKeyNVHWRKQCYBQEHP-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.10
Rot. Bonds4

About 2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide

2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide (PubChem CID 63580703) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide.

Molecular Properties

Compound Name2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide
PubChem CID63580703
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide
SMILESCC1CCCC(SCc2ccccc2C(=O)NN)C1
InChIInChI=1S/C15H22N2OS/c1-11-5-4-7-13(9-11)19-10-12-6-2-3-8-14(12)15(18)17-16/h2-3,6,8,11,13H,4-5,7,9-10,16H2,1H3,(H,17,18)
InChIKeyNVHWRKQCYBQEHP-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

methyl 2-[(3-methylcyclohexyl)sulfanylmethyl]benzoate
CID 82975836
2-fluoro-N'-hydroxy-3-[(3-methylcyclohexyl)sulfanylmethyl]benzenecarboximidamide
CID 107118398
2-bromo-3-[(3-methylcyclohexyl)sulfanylmethyl]aniline
CID 114048829
3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine
CID 62721197
3-amino-4-[(3-methylcyclohexyl)sulfanylmethyl]benzamide
CID 62720802
2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide
CID 115465739
2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide
CID 63571134
2-(cyclobutyloxymethyl)benzohydrazide
CID 63568933
2-(3-methylcyclohexyl)sulfanylbenzoic acid
CID 62721517
1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanone
CID 62721722
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317
methyl 2-fluoro-4-[(3-methylcyclohexyl)sulfanylmethyl]benzoate
CID 106698651

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide?
The IUPAC name of 2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide (CID 63580703) is 2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide.
What is the SMILES notation for 2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide?
The canonical SMILES for 2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide is CC1CCCC(SCc2ccccc2C(=O)NN)C1.
What is the InChIKey of 2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide?
The InChIKey is NVHWRKQCYBQEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11-5-4-7-13(9-11)19-10-12-6-2-3-8-14(12)15(18)17-16/h2-3,6,8,11,13H,4-5,7,9-10,16H2,1H3,(H,17,18).
What are the key properties of 2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide?
2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide has a molecular weight of 278.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclohexyl)sulfanylmethyl]benzohydrazide is sourced from PubChem (CID 63580703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).