3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine

C14H17N3S — CID 66064996

IUPAC3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine
SMILESCc1ccc(SCC(N)c2cccnc2N)cc1
InChIInChI=1S/C14H17N3S/c1-10-4-6-11(7-5-10)18-9-13(15)12-3-2-8-17-14(12)16/h2-8,13H,9,15H2,1H3,(H2,16,17)
InChIKeyPERATUYWAUROBJ-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.76
Rot. Bonds4

About 3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine

3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine (PubChem CID 66064996) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine
PubChem CID66064996
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine
SMILESCc1ccc(SCC(N)c2cccnc2N)cc1
InChIInChI=1S/C14H17N3S/c1-10-4-6-11(7-5-10)18-9-13(15)12-3-2-8-17-14(12)16/h2-8,13H,9,15H2,1H3,(H2,16,17)
InChIKeyPERATUYWAUROBJ-UHFFFAOYSA-N
XLogP2.76
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine
CID 66145426
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
3-[1-amino-2-(4-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine
CID 66073260
3-[(1R)-1-amino-4-methylpentyl]pyridin-2-amine
CID 171211340
1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 79093187
3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride
CID 171211338
2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine
CID 81229127
3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
CID 66143025
1-(2-amino-3-pyridinyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 66064579
1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66065190
3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine
CID 66072309
(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
CID 171211346

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine?
The IUPAC name of 3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine (CID 66064996) is 3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine.
What is the SMILES notation for 3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine?
The canonical SMILES for 3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine is Cc1ccc(SCC(N)c2cccnc2N)cc1.
What is the InChIKey of 3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine?
The InChIKey is PERATUYWAUROBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-4-6-11(7-5-10)18-9-13(15)12-3-2-8-17-14(12)16/h2-8,13H,9,15H2,1H3,(H2,16,17).
What are the key properties of 3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine?
3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine has a molecular weight of 259.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine is sourced from PubChem (CID 66064996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).