3-fluoro-3-methyl-4-(thian-4-yl)piperidine

C11H20FNS — CID 115030334

IUPAC3-fluoro-3-methyl-4-(thian-4-yl)piperidine
SMILESCC1(F)CNCCC1C1CCSCC1
InChIInChI=1S/C11H20FNS/c1-11(12)8-13-5-2-10(11)9-3-6-14-7-4-9/h9-10,13H,2-8H2,1H3
InChIKeyXEFPPJQDKOROPQ-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.47
Rot. Bonds1

About 3-fluoro-3-methyl-4-(thian-4-yl)piperidine

3-fluoro-3-methyl-4-(thian-4-yl)piperidine (PubChem CID 115030334) has the molecular formula C11H20FNS and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-fluoro-3-methyl-4-(thian-4-yl)piperidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-4-(thian-4-yl)piperidine
PubChem CID115030334
Molecular FormulaC11H20FNS
Molecular Weight217.35 g/mol
Exact Mass217.13
IUPAC Name3-fluoro-3-methyl-4-(thian-4-yl)piperidine
SMILESCC1(F)CNCCC1C1CCSCC1
InChIInChI=1S/C11H20FNS/c1-11(12)8-13-5-2-10(11)9-3-6-14-7-4-9/h9-10,13H,2-8H2,1H3
InChIKeyXEFPPJQDKOROPQ-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-4-(thian-4-yl)piperidine?
The IUPAC name of 3-fluoro-3-methyl-4-(thian-4-yl)piperidine (CID 115030334) is 3-fluoro-3-methyl-4-(thian-4-yl)piperidine.
What is the SMILES notation for 3-fluoro-3-methyl-4-(thian-4-yl)piperidine?
The canonical SMILES for 3-fluoro-3-methyl-4-(thian-4-yl)piperidine is CC1(F)CNCCC1C1CCSCC1.
What is the InChIKey of 3-fluoro-3-methyl-4-(thian-4-yl)piperidine?
The InChIKey is XEFPPJQDKOROPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNS/c1-11(12)8-13-5-2-10(11)9-3-6-14-7-4-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 3-fluoro-3-methyl-4-(thian-4-yl)piperidine?
3-fluoro-3-methyl-4-(thian-4-yl)piperidine has a molecular weight of 217.35 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-4-(thian-4-yl)piperidine is sourced from PubChem (CID 115030334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).