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

C7H13NS — CID 142131403

IUPAC4,5-dimethyl-1-sulfanyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C)CN(S)CC1
InChIInChI=1S/C7H13NS/c1-6-3-4-8(9)5-7(6)2/h9H,3-5H2,1-2H3
InChIKeyFEAPBQFPTIZFPR-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.87
Rot. Bonds

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

4,5-dimethyl-1-sulfanyl-3,6-dihydro-2H-pyridine (PubChem CID 142131403) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 4,5-dimethyl-1-sulfanyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4,5-dimethyl-1-sulfanyl-3,6-dihydro-2H-pyridine
PubChem CID142131403
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name4,5-dimethyl-1-sulfanyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C)CN(S)CC1
InChIInChI=1S/C7H13NS/c1-6-3-4-8(9)5-7(6)2/h9H,3-5H2,1-2H3
InChIKeyFEAPBQFPTIZFPR-UHFFFAOYSA-N
XLogP1.87
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-sulfanyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4,5-dimethyl-1-sulfanyl-3,6-dihydro-2H-pyridine (CID 142131403) is 4,5-dimethyl-1-sulfanyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4,5-dimethyl-1-sulfanyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4,5-dimethyl-1-sulfanyl-3,6-dihydro-2H-pyridine is CC1=C(C)CN(S)CC1.
What is the InChIKey of 4,5-dimethyl-1-sulfanyl-3,6-dihydro-2H-pyridine?
The InChIKey is FEAPBQFPTIZFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6-3-4-8(9)5-7(6)2/h9H,3-5H2,1-2H3.
What are the key properties of 4,5-dimethyl-1-sulfanyl-3,6-dihydro-2H-pyridine?
4,5-dimethyl-1-sulfanyl-3,6-dihydro-2H-pyridine has a molecular weight of 143.25 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-sulfanyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 142131403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).