(1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine

C15H18N2S — CID 114056813

IUPAC(1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine
SMILESCc1ccc(Sc2ncccc2[C@H](C)N)c(C)c1
InChIInChI=1S/C15H18N2S/c1-10-6-7-14(11(2)9-10)18-15-13(12(3)16)5-4-8-17-15/h4-9,12H,16H2,1-3H3/t12-/m0/s1
InChIKeyPMRLGDIVSIAHFJ-LBPRGKRZSA-N
MW258.39 g/mol
LogP3.87
Rot. Bonds3

About (1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine

(1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine (PubChem CID 114056813) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is (1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine
PubChem CID114056813
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name(1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine
SMILESCc1ccc(Sc2ncccc2[C@H](C)N)c(C)c1
InChIInChI=1S/C15H18N2S/c1-10-6-7-14(11(2)9-10)18-15-13(12(3)16)5-4-8-17-15/h4-9,12H,16H2,1-3H3/t12-/m0/s1
InChIKeyPMRLGDIVSIAHFJ-LBPRGKRZSA-N
XLogP3.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine
CID 103695131
(1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057152
N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide
CID 112794111
2-(2,4-dimethylphenyl)sulfanyl-N,N-diethylpyridine-3-carboxamide
CID 52895221
(1R)-1-[2-[(5-chloro-2-pyridinyl)sulfanyl]-3-pyridinyl]ethanamine
CID 114056875
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
(1S)-1-(2-methyl-3-pyridinyl)ethanamine
CID 94864826
2-(2,4-dimethylphenyl)sulfanyl-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 111433755
2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide
CID 32615130
1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112649868
(2,4-dimethylphenyl)-(2-methoxy-3-pyridinyl)methanamine
CID 115605058
methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]propanoate
CID 4791741

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine (CID 114056813) is (1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine is Cc1ccc(Sc2ncccc2[C@H](C)N)c(C)c1.
What is the InChIKey of (1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine?
The InChIKey is PMRLGDIVSIAHFJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10-6-7-14(11(2)9-10)18-15-13(12(3)16)5-4-8-17-15/h4-9,12H,16H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine?
(1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine has a molecular weight of 258.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 114056813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).