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

C14H22N2S — CID 105236973

IUPAC[4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine
SMILESCc1ccc(SCC(CCC2CC2)NN)cc1
InChIInChI=1S/C14H22N2S/c1-11-2-8-14(9-3-11)17-10-13(16-15)7-6-12-4-5-12/h2-3,8-9,12-13,16H,4-7,10,15H2,1H3
InChIKeyKKFXPFYTGQVXBE-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.11
Rot. Bonds7

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

[4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine (PubChem CID 105236973) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is [4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine
PubChem CID105236973
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name[4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine
SMILESCc1ccc(SCC(CCC2CC2)NN)cc1
InChIInChI=1S/C14H22N2S/c1-11-2-8-14(9-3-11)17-10-13(16-15)7-6-12-4-5-12/h2-3,8-9,12-13,16H,4-7,10,15H2,1H3
InChIKeyKKFXPFYTGQVXBE-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.11
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-cyclopropyl-5-(4-methylphenyl)pentan-3-yl]hydrazine
CID 105315029
1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 66066581
[4-cyclopentyl-1-(4-methylphenyl)butan-2-yl]hydrazine
CID 105284261
1-(4-methylphenyl)sulfanylpent-4-en-2-ylhydrazine
CID 105236964
[4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine
CID 105236985
[1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105236961
N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066786
[1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine
CID 105235845
[1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105236653
[1-(2-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105236924
1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66066361
[1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine
CID 105235987

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine?
The IUPAC name of [4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine (CID 105236973) is [4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine.
What is the SMILES notation for [4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine?
The canonical SMILES for [4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine is Cc1ccc(SCC(CCC2CC2)NN)cc1.
What is the InChIKey of [4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine?
The InChIKey is KKFXPFYTGQVXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11-2-8-14(9-3-11)17-10-13(16-15)7-6-12-4-5-12/h2-3,8-9,12-13,16H,4-7,10,15H2,1H3.
What are the key properties of [4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine?
[4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine has a molecular weight of 250.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine is sourced from PubChem (CID 105236973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).