3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine

C15H20N4S — CID 105237021

IUPAC3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine
SMILESCc1ccc(SCC(NN)c2c(C)ccnc2N)cc1
InChIInChI=1S/C15H20N4S/c1-10-3-5-12(6-4-10)20-9-13(19-17)14-11(2)7-8-18-15(14)16/h3-8,13,19H,9,17H2,1-2H3,(H2,16,18)
InChIKeyCTCNHNJDLVQREU-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.58
Rot. Bonds5

About 3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine

3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine (PubChem CID 105237021) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine
PubChem CID105237021
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine
SMILESCc1ccc(SCC(NN)c2c(C)ccnc2N)cc1
InChIInChI=1S/C15H20N4S/c1-10-3-5-12(6-4-10)20-9-13(19-17)14-11(2)7-8-18-15(14)16/h3-8,13,19H,9,17H2,1-2H3,(H2,16,18)
InChIKeyCTCNHNJDLVQREU-UHFFFAOYSA-N
XLogP2.58
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.58
H-Bond Donors ≤ 53
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

3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine
CID 66071805
[1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 106884341
4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66098635
3-[1-hydrazinyl-2-(2-methylphenyl)ethyl]-4-methylpyridin-2-amine
CID 105208463
3-(1-hydrazinyl-2-pyridin-2-ylethyl)-4-methylpyridin-2-amine
CID 105200002
3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine
CID 65128214
3-[2-(2,4-difluorophenyl)-1-hydrazinylethyl]-4-methylpyridin-2-amine
CID 105223198
3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66064996
[1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 105237027
[1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 105236949
3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine
CID 66065398
3-(1-amino-2-ethylsulfanylethyl)-4-methylpyridin-2-amine
CID 65128071

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine (CID 105237021) is 3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine is Cc1ccc(SCC(NN)c2c(C)ccnc2N)cc1.
What is the InChIKey of 3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine?
The InChIKey is CTCNHNJDLVQREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-10-3-5-12(6-4-10)20-9-13(19-17)14-11(2)7-8-18-15(14)16/h3-8,13,19H,9,17H2,1-2H3,(H2,16,18).
What are the key properties of 3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine?
3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine has a molecular weight of 288.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 105237021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).