6-methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium

C9H16NS+ — CID 59893090

IUPAC6-methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium
SMILESCSCC[NH+]1CC=CC=C1C
InChIInChI=1S/C9H15NS/c1-9-5-3-4-6-10(9)7-8-11-2/h3-5H,6-8H2,1-2H3/p+1
InChIKeyGGZHETABXFZODP-UHFFFAOYSA-O
MW170.30 g/mol
LogP0.71
Rot. Bonds3

About 6-methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium

6-methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium (PubChem CID 59893090) has the molecular formula C9H16NS+ and a molecular weight of 170.30 g/mol. Its IUPAC name is 6-methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium.

Molecular Properties

Compound Name6-methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium
PubChem CID59893090
Molecular FormulaC9H16NS+
Molecular Weight170.30 g/mol
Exact Mass170.10
IUPAC Name6-methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium
SMILESCSCC[NH+]1CC=CC=C1C
InChIInChI=1S/C9H15NS/c1-9-5-3-4-6-10(9)7-8-11-2/h3-5H,6-8H2,1-2H3/p+1
InChIKeyGGZHETABXFZODP-UHFFFAOYSA-O
XLogP0.71
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-Diethylaminothiopyran
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4-Diethylaminothiopyranthion
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(2E,4E,6Z)-4-(difluoromethylsulfanyl)-N-ethylocta-2,4,6-trien-3-amine
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6-methyl-1-(2-methylsulfanylethyl)-2H-pyridine
CID 59893091
N-methyl-2H-thiopyran-4-amine
CID 70273602
(1E,3Z)-2-thiomorpholin-4-ylhexa-1,3,5-triene-1,5-diamine
CID 87688582
(2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 89088796
3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine
CID 89176393
4-Chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium?
The IUPAC name of 6-methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium (CID 59893090) is 6-methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium.
What is the SMILES notation for 6-methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium?
The canonical SMILES for 6-methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium is CSCC[NH+]1CC=CC=C1C.
What is the InChIKey of 6-methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium?
The InChIKey is GGZHETABXFZODP-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H15NS/c1-9-5-3-4-6-10(9)7-8-11-2/h3-5H,6-8H2,1-2H3/p+1.
What are the key properties of 6-methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium?
6-methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium has a molecular weight of 170.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium is sourced from PubChem (CID 59893090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).