2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide

C12H18N2O2S — CID 56975522

IUPAC2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide
SMILESCC(C)=CS(=O)(=O)NNCc1cccc(C)c1
InChIInChI=1S/C12H18N2O2S/c1-10(2)9-17(15,16)14-13-8-12-6-4-5-11(3)7-12/h4-7,9,13-14H,8H2,1-3H3
InChIKeyHUGKBJOHAORCPV-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.84
Rot. Bonds5

About 2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide

2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide (PubChem CID 56975522) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide
PubChem CID56975522
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide
SMILESCC(C)=CS(=O)(=O)NNCc1cccc(C)c1
InChIInChI=1S/C12H18N2O2S/c1-10(2)9-17(15,16)14-13-8-12-6-4-5-11(3)7-12/h4-7,9,13-14H,8H2,1-3H3
InChIKeyHUGKBJOHAORCPV-UHFFFAOYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.84
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide?
The IUPAC name of 2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide (CID 56975522) is 2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide.
What is the SMILES notation for 2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide?
The canonical SMILES for 2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide is CC(C)=CS(=O)(=O)NNCc1cccc(C)c1.
What is the InChIKey of 2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide?
The InChIKey is HUGKBJOHAORCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10(2)9-17(15,16)14-13-8-12-6-4-5-11(3)7-12/h4-7,9,13-14H,8H2,1-3H3.
What are the key properties of 2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide?
2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide has a molecular weight of 254.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide is sourced from PubChem (CID 56975522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).