[4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine

C15H22N4S — CID 105237457

IUPAC[4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine
SMILESCc1ccccc1SCC(CCc1nccn1C)NN
InChIInChI=1S/C15H22N4S/c1-12-5-3-4-6-14(12)20-11-13(18-16)7-8-15-17-9-10-19(15)2/h3-6,9-10,13,18H,7-8,11,16H2,1-2H3
InChIKeySJQDTGTYFGFNLK-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.29
Rot. Bonds7

About [4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine

[4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine (PubChem CID 105237457) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is [4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine
PubChem CID105237457
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name[4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine
SMILESCc1ccccc1SCC(CCc1nccn1C)NN
InChIInChI=1S/C15H22N4S/c1-12-5-3-4-6-14(12)20-11-13(18-16)7-8-15-17-9-10-19(15)2/h3-6,9-10,13,18H,7-8,11,16H2,1-2H3
InChIKeySJQDTGTYFGFNLK-UHFFFAOYSA-N
XLogP2.29
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine
CID 105228177
N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 79761270
[1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine
CID 105237337
[5-methyl-1-(1-methylimidazol-2-yl)hexan-3-yl]hydrazine
CID 105199029
1-(1-methylimidazol-2-yl)hex-5-en-3-ylhydrazine
CID 105269747
[1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340417
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
CID 114530130
[5-methoxy-1-(1-methylimidazol-2-yl)hexan-3-yl]hydrazine
CID 105267141
[4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-yl]hydrazine
CID 105340257
[3-(1-methylimidazol-2-yl)-1-(4-methylphenyl)propyl]hydrazine
CID 105194412
[5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine
CID 105237458

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine?
The IUPAC name of [4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine (CID 105237457) is [4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine.
What is the SMILES notation for [4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine?
The canonical SMILES for [4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine is Cc1ccccc1SCC(CCc1nccn1C)NN.
What is the InChIKey of [4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine?
The InChIKey is SJQDTGTYFGFNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-12-5-3-4-6-14(12)20-11-13(18-16)7-8-15-17-9-10-19(15)2/h3-6,9-10,13,18H,7-8,11,16H2,1-2H3.
What are the key properties of [4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine?
[4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine has a molecular weight of 290.44 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine is sourced from PubChem (CID 105237457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).