5-(1-methylsulfanylethyl)-2,3-dihydropyridine

C8H13NS — CID 91177357

IUPAC5-(1-methylsulfanylethyl)-2,3-dihydropyridine
SMILESCSC(C)C1=CCCN=C1
InChIInChI=1S/C8H13NS/c1-7(10-2)8-4-3-5-9-6-8/h4,6-7H,3,5H2,1-2H3
InChIKeyMWUJNPFBSQFFAO-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.14
Rot. Bonds2

About 5-(1-methylsulfanylethyl)-2,3-dihydropyridine

5-(1-methylsulfanylethyl)-2,3-dihydropyridine (PubChem CID 91177357) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 5-(1-methylsulfanylethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name5-(1-methylsulfanylethyl)-2,3-dihydropyridine
PubChem CID91177357
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name5-(1-methylsulfanylethyl)-2,3-dihydropyridine
SMILESCSC(C)C1=CCCN=C1
InChIInChI=1S/C8H13NS/c1-7(10-2)8-4-3-5-9-6-8/h4,6-7H,3,5H2,1-2H3
InChIKeyMWUJNPFBSQFFAO-UHFFFAOYSA-N
XLogP2.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine
CID 129196001
6-propan-2-yl-2H-1,3-thiazine
CID 20700908
2-Methylsulfanyl-2,3-dihydropyridine
CID 53805724
6-Methyl-3a,7a-dihydrothieno[3,2-b]pyridine
CID 57585669
5-Methylsulfanyl-2,3-dihydropyridine
CID 68232477
N-ethyl-2-(1-methylsulfanylethyl)but-2-en-1-imine
CID 91180521
2-Pent-2-en-2-yl-4,5-dihydro-1,3-thiazole
CID 91379774
(E)-2-(methyliminomethyl)pent-2-ene-1-thiol
CID 123342933
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043
2-(1-Methylsulfanylethyl)but-2-en-1-imine
CID 123576158
2,3-Dihydropyridin-3-yl(trimethyl)-lambda4-sulfane
CID 123644316
2-(3,6-dihydro-2H-thiopyran-4-yl)-N-methylbut-2-en-1-imine
CID 124030985

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfanylethyl)-2,3-dihydropyridine?
The IUPAC name of 5-(1-methylsulfanylethyl)-2,3-dihydropyridine (CID 91177357) is 5-(1-methylsulfanylethyl)-2,3-dihydropyridine.
What is the SMILES notation for 5-(1-methylsulfanylethyl)-2,3-dihydropyridine?
The canonical SMILES for 5-(1-methylsulfanylethyl)-2,3-dihydropyridine is CSC(C)C1=CCCN=C1.
What is the InChIKey of 5-(1-methylsulfanylethyl)-2,3-dihydropyridine?
The InChIKey is MWUJNPFBSQFFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-7(10-2)8-4-3-5-9-6-8/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 5-(1-methylsulfanylethyl)-2,3-dihydropyridine?
5-(1-methylsulfanylethyl)-2,3-dihydropyridine has a molecular weight of 155.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfanylethyl)-2,3-dihydropyridine is sourced from PubChem (CID 91177357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).