5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine

C10H16FNS — CID 130671554

IUPAC5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
SMILESCSC1(CN2CCC=C(F)C2)CC1
InChIInChI=1S/C10H16FNS/c1-13-10(4-5-10)8-12-6-2-3-9(11)7-12/h3H,2,4-8H2,1H3
InChIKeyHGQZCPRNZQFEJD-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.44
Rot. Bonds3

About 5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine

5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 130671554) has the molecular formula C10H16FNS and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID130671554
Molecular FormulaC10H16FNS
Molecular Weight201.31 g/mol
Exact Mass201.10
IUPAC Name5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
SMILESCSC1(CN2CCC=C(F)C2)CC1
InChIInChI=1S/C10H16FNS/c1-13-10(4-5-10)8-12-6-2-3-9(11)7-12/h3H,2,4-8H2,1H3
InChIKeyHGQZCPRNZQFEJD-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(Ethylthio)methyl]-1-methyl-1,2,3,6-tetrahydropyridine
CID 14442215
1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442222
1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442223
1-ethyl-4-(ethylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442224
4-(ethylsulfanylmethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium
CID 14442232
4-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
CID 130645739
5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
CID 130662610
5-bromo-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
CID 131154589

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine (CID 130671554) is 5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine is CSC1(CN2CCC=C(F)C2)CC1.
What is the InChIKey of 5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is HGQZCPRNZQFEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNS/c1-13-10(4-5-10)8-12-6-2-3-9(11)7-12/h3H,2,4-8H2,1H3.
What are the key properties of 5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 201.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130671554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).