1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine

C15H18N2S — CID 102545480

IUPAC1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine
SMILESCc1cc(SCc2ccccc2)ncc1C(C)N
InChIInChI=1S/C15H18N2S/c1-11-8-15(17-9-14(11)12(2)16)18-10-13-6-4-3-5-7-13/h3-9,12H,10,16H2,1-2H3
InChIKeyOBCKLXYFAORBQI-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.70
Rot. Bonds4

About 1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine

1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine (PubChem CID 102545480) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine
PubChem CID102545480
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine
SMILESCc1cc(SCc2ccccc2)ncc1C(C)N
InChIInChI=1S/C15H18N2S/c1-11-8-15(17-9-14(11)12(2)16)18-10-13-6-4-3-5-7-13/h3-9,12H,10,16H2,1-2H3
InChIKeyOBCKLXYFAORBQI-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-5-methylpyridin-4-amine
CID 83269253
2-benzylsulfanyl-5-bromo-4-methylpyridine
CID 99717832
1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651207
(1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine
CID 124502892
2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine
CID 59192525
(1R)-1-(4-benzylsulfanyl-2-bromophenyl)ethanamine
CID 114069502
2-(6-benzylsulfanyl-3-pyridinyl)ethanol
CID 102546728
4-benzylsulfanyl-6-phenylpyrimidine
CID 16876404
(1S)-1-(6-benzylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine
CID 124502443
2-benzylsulfanyl-5-chloro-4-(trifluoromethyl)pyridine
CID 146421733
2-benzylsulfanyl-4,6,8-trimethylquinoline
CID 46302755
4-benzylsulfanyl-5-methylpyrimidin-2-amine
CID 80884331

Frequently Asked Questions

What is the IUPAC name of 1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine (CID 102545480) is 1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine is Cc1cc(SCc2ccccc2)ncc1C(C)N.
What is the InChIKey of 1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine?
The InChIKey is OBCKLXYFAORBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-8-15(17-9-14(11)12(2)16)18-10-13-6-4-3-5-7-13/h3-9,12H,10,16H2,1-2H3.
What are the key properties of 1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine?
1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine has a molecular weight of 258.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 102545480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).