ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine

C9H19NS — CID 142155612

IUPACethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESCC.CSC1=C(C)CNCC1
InChIInChI=1S/C7H13NS.C2H6/c1-6-5-8-4-3-7(6)9-2;1-2/h8H,3-5H2,1-2H3;1-2H3
InChIKeyOUSLILCSDHCLRW-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.64
Rot. Bonds1

About ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine

ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine (PubChem CID 142155612) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Nameethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
PubChem CID142155612
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Nameethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESCC.CSC1=C(C)CNCC1
InChIInChI=1S/C7H13NS.C2H6/c1-6-5-8-4-3-7(6)9-2;1-2/h8H,3-5H2,1-2H3;1-2H3
InChIKeyOUSLILCSDHCLRW-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.64
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
3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine
CID 90987188
4-Methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 123280119
5-Ethynylsulfanyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 123286494
4-Methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine
CID 126687656
Ethane;5-ethenyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 141953486
5-Ethenyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 141953487
Ethane;5-ethenyl-4-ethylsulfanyl-1,2,3,6-tetrahydropyridine
CID 141953489
4-Ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine
CID 143138217
Ethane;5-methylsulfanyl-1,2,3,6-tetrahydropyridine;prop-1-ene
CID 144168368
(Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine
CID 146580980
3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine
CID 163682439

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine (CID 142155612) is ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine is CC.CSC1=C(C)CNCC1.
What is the InChIKey of ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The InChIKey is OUSLILCSDHCLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS.C2H6/c1-6-5-8-4-3-7(6)9-2;1-2/h8H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine has a molecular weight of 173.32 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 142155612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).