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

C9H17NS — CID 152801435

IUPAC4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCSC1=CCN(C(C)C)CC1
InChIInChI=1S/C9H17NS/c1-8(2)10-6-4-9(11-3)5-7-10/h4,8H,5-7H2,1-3H3
InChIKeySNQGKMODSDFMBJ-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.35
Rot. Bonds2

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

4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 152801435) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID152801435
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCSC1=CCN(C(C)C)CC1
InChIInChI=1S/C9H17NS/c1-8(2)10-6-4-9(11-3)5-7-10/h4,8H,5-7H2,1-3H3
InChIKeySNQGKMODSDFMBJ-UHFFFAOYSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine (CID 152801435) is 4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine is CSC1=CCN(C(C)C)CC1.
What is the InChIKey of 4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is SNQGKMODSDFMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-8(2)10-6-4-9(11-3)5-7-10/h4,8H,5-7H2,1-3H3.
What are the key properties of 4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine?
4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 171.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 152801435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).