3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine

C9H17NS — CID 90987188

IUPAC3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine
SMILESCSC1=C(C)CNCC1(C)C
InChIInChI=1S/C9H17NS/c1-7-5-10-6-9(2,3)8(7)11-4/h10H,5-6H2,1-4H3
InChIKeyIEDDCTOEOVPCBU-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.25
Rot. Bonds1

About 3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine

3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine (PubChem CID 90987188) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine.

Molecular Properties

Compound Name3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine
PubChem CID90987188
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine
SMILESCSC1=C(C)CNCC1(C)C
InChIInChI=1S/C9H17NS/c1-7-5-10-6-9(2,3)8(7)11-4/h10H,5-6H2,1-4H3
InChIKeyIEDDCTOEOVPCBU-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 89010968
4-Methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 123280119
Ethane;5-ethenyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 141953486
Ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 142155612
4-Ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine
CID 143138217
(Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine
CID 146580980
5-(Propan-2-ylsulfanylmethyl)-1,2,3,6-tetrahydropyridine
CID 117125541
5-Methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 142155613

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine?
The IUPAC name of 3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine (CID 90987188) is 3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine.
What is the SMILES notation for 3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine?
The canonical SMILES for 3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine is CSC1=C(C)CNCC1(C)C.
What is the InChIKey of 3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine?
The InChIKey is IEDDCTOEOVPCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-7-5-10-6-9(2,3)8(7)11-4/h10H,5-6H2,1-4H3.
What are the key properties of 3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine?
3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine has a molecular weight of 171.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine is sourced from PubChem (CID 90987188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).