5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine

C10H19NS — CID 170633792

IUPAC5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCSC1=C(C)CN(C(C)C)CC1
InChIInChI=1S/C10H19NS/c1-8(2)11-6-5-10(12-4)9(3)7-11/h8H,5-7H2,1-4H3
InChIKeyLJBWPGLANVNUHA-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.74
Rot. Bonds2

About 5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine

5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 170633792) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID170633792
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCSC1=C(C)CN(C(C)C)CC1
InChIInChI=1S/C10H19NS/c1-8(2)11-6-5-10(12-4)9(3)7-11/h8H,5-7H2,1-4H3
InChIKeyLJBWPGLANVNUHA-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dimethyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine
CID 21345779
1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine
CID 21345780
4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 117998780
4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine
CID 143598561
ethane;4-ethenylsulfanyl-5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 143927754
4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 152801435
5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 170052855
acetylene;5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 170633791
5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 170635423
trimethyl-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-lambda4-sulfane
CID 175620306

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine (CID 170633792) is 5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine is CSC1=C(C)CN(C(C)C)CC1.
What is the InChIKey of 5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is LJBWPGLANVNUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-8(2)11-6-5-10(12-4)9(3)7-11/h8H,5-7H2,1-4H3.
What are the key properties of 5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine?
5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 185.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 170633792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).