2-cyclopropyl-4-(methylsulfanylmethyl)pyridine

C10H13NS — CID 170105067

IUPAC2-cyclopropyl-4-(methylsulfanylmethyl)pyridine
SMILESCSCc1ccnc(C2CC2)c1
InChIInChI=1S/C10H13NS/c1-12-7-8-4-5-11-10(6-8)9-2-3-9/h4-6,9H,2-3,7H2,1H3
InChIKeyDVHKUVKYNMFFSM-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.82
Rot. Bonds3

About 2-cyclopropyl-4-(methylsulfanylmethyl)pyridine

2-cyclopropyl-4-(methylsulfanylmethyl)pyridine (PubChem CID 170105067) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-(methylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2-cyclopropyl-4-(methylsulfanylmethyl)pyridine
PubChem CID170105067
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2-cyclopropyl-4-(methylsulfanylmethyl)pyridine
SMILESCSCc1ccnc(C2CC2)c1
InChIInChI=1S/C10H13NS/c1-12-7-8-4-5-11-10(6-8)9-2-3-9/h4-6,9H,2-3,7H2,1H3
InChIKeyDVHKUVKYNMFFSM-UHFFFAOYSA-N
XLogP2.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(methylsulfanylmethyl)pyridine?
The IUPAC name of 2-cyclopropyl-4-(methylsulfanylmethyl)pyridine (CID 170105067) is 2-cyclopropyl-4-(methylsulfanylmethyl)pyridine.
What is the SMILES notation for 2-cyclopropyl-4-(methylsulfanylmethyl)pyridine?
The canonical SMILES for 2-cyclopropyl-4-(methylsulfanylmethyl)pyridine is CSCc1ccnc(C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-4-(methylsulfanylmethyl)pyridine?
The InChIKey is DVHKUVKYNMFFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-12-7-8-4-5-11-10(6-8)9-2-3-9/h4-6,9H,2-3,7H2,1H3.
What are the key properties of 2-cyclopropyl-4-(methylsulfanylmethyl)pyridine?
2-cyclopropyl-4-(methylsulfanylmethyl)pyridine has a molecular weight of 179.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(methylsulfanylmethyl)pyridine is sourced from PubChem (CID 170105067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).