1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine

C7H13NS — CID 148813193

IUPAC1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine
SMILESCSC1C=CN(C)CC1
InChIInChI=1S/C7H13NS/c1-8-5-3-7(9-2)4-6-8/h3,5,7H,4,6H2,1-2H3
InChIKeyOQICABZHFIUTBN-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.57
Rot. Bonds1

About 1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine

1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine (PubChem CID 148813193) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine
PubChem CID148813193
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine
SMILESCSC1C=CN(C)CC1
InChIInChI=1S/C7H13NS/c1-8-5-3-7(9-2)4-6-8/h3,5,7H,4,6H2,1-2H3
InChIKeyOQICABZHFIUTBN-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine
CID 46185759
N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine
CID 75166264
1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine
CID 123161019
6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine
CID 123995452
1-(2-Methylsulfanylethyl)-2,3-dihydropyrrole
CID 142185321
4-Methylsulfanyl-1,2,3,4-tetrahydropyridine
CID 166850744
1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine
CID 167283897
1-butyl-4H-pyridine-4-thiol
CID 45089039
1-methyl-3-methylsulfanyl-4H-pyridine
CID 102267788
1-(2,3-dihydrothiophen-2-yl)-N,N-dimethylmethanamine
CID 144372425

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine (CID 148813193) is 1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine is CSC1C=CN(C)CC1.
What is the InChIKey of 1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine?
The InChIKey is OQICABZHFIUTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-8-5-3-7(9-2)4-6-8/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine?
1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine has a molecular weight of 143.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 148813193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).