5-benzylsulfanyl-2-ethylpyridin-3-amine

C14H16N2S — CID 145196813

IUPAC5-benzylsulfanyl-2-ethylpyridin-3-amine
SMILESCCc1ncc(SCc2ccccc2)cc1N
InChIInChI=1S/C14H16N2S/c1-2-14-13(15)8-12(9-16-14)17-10-11-6-4-3-5-7-11/h3-9H,2,10,15H2,1H3
InChIKeyPLVYTNSAAZGIDX-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.52
Rot. Bonds4

About 5-benzylsulfanyl-2-ethylpyridin-3-amine

5-benzylsulfanyl-2-ethylpyridin-3-amine (PubChem CID 145196813) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 5-benzylsulfanyl-2-ethylpyridin-3-amine.

Molecular Properties

Compound Name5-benzylsulfanyl-2-ethylpyridin-3-amine
PubChem CID145196813
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name5-benzylsulfanyl-2-ethylpyridin-3-amine
SMILESCCc1ncc(SCc2ccccc2)cc1N
InChIInChI=1S/C14H16N2S/c1-2-14-13(15)8-12(9-16-14)17-10-11-6-4-3-5-7-11/h3-9H,2,10,15H2,1H3
InChIKeyPLVYTNSAAZGIDX-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-5-methylpyridin-4-amine
CID 83269253
6-benzylsulfanyl-1-ethylphthalazine
CID 174867586
3-benzylsulfanyl-5-methylpyridine
CID 58349834
5-benzylsulfanyl-3-bromo-2-(difluoromethyl)pyridine;propane
CID 144706546
3-benzylsulfanyl-8-chloro-1,7-naphthyridine
CID 86687547
3-benzylsulfanyl-6-bromoquinoline
CID 139226938
(1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol
CID 113355448
1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449
3-benzylsulfanyl-5-bromopyridine
CID 71076689
6-benzylsulfanyl-5-ethylpyrimidin-4-amine
CID 80884151
sulfanium ethylbenzene
CID 22726309
1-(methyldisulfanyl)-3-(phenylsulfanylmethyl)benzene
CID 154664341

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-2-ethylpyridin-3-amine?
The IUPAC name of 5-benzylsulfanyl-2-ethylpyridin-3-amine (CID 145196813) is 5-benzylsulfanyl-2-ethylpyridin-3-amine.
What is the SMILES notation for 5-benzylsulfanyl-2-ethylpyridin-3-amine?
The canonical SMILES for 5-benzylsulfanyl-2-ethylpyridin-3-amine is CCc1ncc(SCc2ccccc2)cc1N.
What is the InChIKey of 5-benzylsulfanyl-2-ethylpyridin-3-amine?
The InChIKey is PLVYTNSAAZGIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-2-14-13(15)8-12(9-16-14)17-10-11-6-4-3-5-7-11/h3-9H,2,10,15H2,1H3.
What are the key properties of 5-benzylsulfanyl-2-ethylpyridin-3-amine?
5-benzylsulfanyl-2-ethylpyridin-3-amine has a molecular weight of 244.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-2-ethylpyridin-3-amine is sourced from PubChem (CID 145196813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).