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

C8H15NS — CID 21345780

IUPAC1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine
SMILESCSC1=C(C)CCN(C)C1
InChIInChI=1S/C8H15NS/c1-7-4-5-9(2)6-8(7)10-3/h4-6H2,1-3H3
InChIKeyYTCMUVQXPGQHFF-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.96
Rot. Bonds1

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

1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine (PubChem CID 21345780) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine
PubChem CID21345780
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine
SMILESCSC1=C(C)CCN(C)C1
InChIInChI=1S/C8H15NS/c1-7-4-5-9(2)6-8(7)10-3/h4-6H2,1-3H3
InChIKeyYTCMUVQXPGQHFF-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442222
1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 19933891
1,5-dimethyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine
CID 21345779
5,6-Ditert-butyl-3-propyl-2,4-dihydro-1,3-thiazine
CID 23552399
1-ethylsulfanyl-4,5-dimethyl-3,6-dihydro-2H-pyridine
CID 132036871
4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine
CID 143598561
1,4-dimethyl-3,6-dihydro-2H-pyridine-5-thiol
CID 143797085
4,5-dimethyl-1-methylsulfanyl-3,6-dihydro-2H-pyridine
CID 145665417
1-methyl-4-methylsulfanyl-5-prop-1-en-2-yl-3,6-dihydro-2H-pyridine
CID 144034562
5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 170633792

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine (CID 21345780) is 1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine is CSC1=C(C)CCN(C)C1.
What is the InChIKey of 1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine?
The InChIKey is YTCMUVQXPGQHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-7-4-5-9(2)6-8(7)10-3/h4-6H2,1-3H3.
What are the key properties of 1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine?
1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine has a molecular weight of 157.28 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 21345780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).