3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine

C16H20N2S — CID 62468389

IUPAC3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CSc1ccccc1C
InChIInChI=1S/C16H20N2S/c1-3-10-17-16-14(8-6-11-18-16)12-19-15-9-5-4-7-13(15)2/h4-9,11H,3,10,12H2,1-2H3,(H,17,18)
InChIKeyLOODZICFZFFVEK-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.50
Rot. Bonds6

About 3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine

3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine (PubChem CID 62468389) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
PubChem CID62468389
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CSc1ccccc1C
InChIInChI=1S/C16H20N2S/c1-3-10-17-16-14(8-6-11-18-16)12-19-15-9-5-4-7-13(15)2/h4-9,11H,3,10,12H2,1-2H3,(H,17,18)
InChIKeyLOODZICFZFFVEK-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62468384
N-propyl-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 55076591
3-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]propane-1,2-diol
CID 79671550
3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62468560
5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine
CID 66302466
3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine
CID 62467130
N-methyl-2-[[2-(propylamino)-3-pyridinyl]methylsulfanyl]acetamide
CID 114231922
3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 107660665
3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465576
N-ethyl-3-[(2-nitrophenyl)sulfanylmethyl]pyridin-2-amine
CID 62467315
3-[(2-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 62465145
3-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 60960877

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine (CID 62468389) is 3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine is CCCNc1ncccc1CSc1ccccc1C.
What is the InChIKey of 3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The InChIKey is LOODZICFZFFVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-3-10-17-16-14(8-6-11-18-16)12-19-15-9-5-4-7-13(15)2/h4-9,11H,3,10,12H2,1-2H3,(H,17,18).
What are the key properties of 3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine has a molecular weight of 272.42 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62468389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).