1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine

C15H18N2S — CID 80651384

IUPAC1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine
SMILESCc1ccccc1Sc1ccc(CC(C)N)cn1
InChIInChI=1S/C15H18N2S/c1-11-5-3-4-6-14(11)18-15-8-7-13(10-17-15)9-12(2)16/h3-8,10,12H,9,16H2,1-2H3
InChIKeyKWBWDWHSOVBPLZ-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.43
Rot. Bonds4

About 1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine

1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine (PubChem CID 80651384) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine
PubChem CID80651384
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine
SMILESCc1ccccc1Sc1ccc(CC(C)N)cn1
InChIInChI=1S/C15H18N2S/c1-11-5-3-4-6-14(11)18-15-8-7-13(10-17-15)9-12(2)16/h3-8,10,12H,9,16H2,1-2H3
InChIKeyKWBWDWHSOVBPLZ-UHFFFAOYSA-N
XLogP3.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 80643952
1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651207
1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine
CID 80644829
6-(2-methylphenyl)sulfanylpyridin-3-amine
CID 901270
1-[6-[(3-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 80645106
1-[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 106927161
1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80651373
4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine
CID 79176562
1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651798
1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine
CID 80650790
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
[6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine
CID 61289983

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine (CID 80651384) is 1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine is Cc1ccccc1Sc1ccc(CC(C)N)cn1.
What is the InChIKey of 1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine?
The InChIKey is KWBWDWHSOVBPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-5-3-4-6-14(11)18-15-8-7-13(10-17-15)9-12(2)16/h3-8,10,12H,9,16H2,1-2H3.
What are the key properties of 1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine?
1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine has a molecular weight of 258.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylphenyl)sulfanyl-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80651384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).