[1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine

C17H28N2S — CID 105227835

IUPAC[1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
SMILESCc1ccc(CC(CSC2CCCCC2)NN)cc1C
InChIInChI=1S/C17H28N2S/c1-13-8-9-15(10-14(13)2)11-16(19-18)12-20-17-6-4-3-5-7-17/h8-10,16-17,19H,3-7,11-12,18H2,1-2H3
InChIKeySYQAGOSSUZGXCB-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.74
Rot. Bonds6

About [1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine

[1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine (PubChem CID 105227835) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is [1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
PubChem CID105227835
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name[1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
SMILESCc1ccc(CC(CSC2CCCCC2)NN)cc1C
InChIInChI=1S/C17H28N2S/c1-13-8-9-15(10-14(13)2)11-16(19-18)12-20-17-6-4-3-5-7-17/h8-10,16-17,19H,3-7,11-12,18H2,1-2H3
InChIKeySYQAGOSSUZGXCB-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 65144591
[1-cyclopentylsulfanyl-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105227574
[1-cyclohexylsulfanyl-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105227768
[1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 107895084
[1-cyclobutyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105215170
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
(1-cyclohexylsulfanyl-3-thiophen-3-ylpropan-2-yl)hydrazine
CID 105227893
[1-cyclopentylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105227601
[1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105227477
1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65479375
[1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 105227890
[1-cyclohexylsulfanyl-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine
CID 105227721

Frequently Asked Questions

What is the IUPAC name of [1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine (CID 105227835) is [1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine is Cc1ccc(CC(CSC2CCCCC2)NN)cc1C.
What is the InChIKey of [1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine?
The InChIKey is SYQAGOSSUZGXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-13-8-9-15(10-14(13)2)11-16(19-18)12-20-17-6-4-3-5-7-17/h8-10,16-17,19H,3-7,11-12,18H2,1-2H3.
What are the key properties of [1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine?
[1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine has a molecular weight of 292.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105227835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).