4-methylsulfanyl-1,2,3,4-tetrahydropyridine

C6H11NS — CID 166850744

IUPAC4-methylsulfanyl-1,2,3,4-tetrahydropyridine
SMILESCSC1C=CNCC1
InChIInChI=1S/C6H11NS/c1-8-6-2-4-7-5-3-6/h2,4,6-7H,3,5H2,1H3
InChIKeyDUSDXKGFKZAZJI-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.23
Rot. Bonds1

About 4-methylsulfanyl-1,2,3,4-tetrahydropyridine

4-methylsulfanyl-1,2,3,4-tetrahydropyridine (PubChem CID 166850744) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 4-methylsulfanyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name4-methylsulfanyl-1,2,3,4-tetrahydropyridine
PubChem CID166850744
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name4-methylsulfanyl-1,2,3,4-tetrahydropyridine
SMILESCSC1C=CNCC1
InChIInChI=1S/C6H11NS/c1-8-6-2-4-7-5-3-6/h2,4,6-7H,3,5H2,1H3
InChIKeyDUSDXKGFKZAZJI-UHFFFAOYSA-N
XLogP1.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methyl-thio)tetrahydropyridine
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N-(3-methylsulfanylpropyl)pent-4-en-1-amine
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CID 66979201
3a,4,5,7a-Tetrahydrothieno[3,2-c]pyridine
CID 69404817
2-propylsulfanyl-2,3-dihydro-1H-pyrrole
CID 70438663
2-methylsulfanyl-2,3,4,5-tetrahydro-1H-azepine
CID 70439096
2-(2,3-dihydrothiophen-2-yl)-N-methylethanamine
CID 89143500
1-(2,3-dihydrothiophen-2-yl)-N-methylmethanamine
CID 89258846
1,2,3,4-Tetrahydropyridine-2-thiol
CID 129781688
2-ethyl-4H-1,4-thiazine
CID 134213216
N-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine
CID 138478273
3-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine
CID 140899054

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 4-methylsulfanyl-1,2,3,4-tetrahydropyridine (CID 166850744) is 4-methylsulfanyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 4-methylsulfanyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 4-methylsulfanyl-1,2,3,4-tetrahydropyridine is CSC1C=CNCC1.
What is the InChIKey of 4-methylsulfanyl-1,2,3,4-tetrahydropyridine?
The InChIKey is DUSDXKGFKZAZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-8-6-2-4-7-5-3-6/h2,4,6-7H,3,5H2,1H3.
What are the key properties of 4-methylsulfanyl-1,2,3,4-tetrahydropyridine?
4-methylsulfanyl-1,2,3,4-tetrahydropyridine has a molecular weight of 129.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 166850744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).