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

C11H20FNS — CID 115030335

IUPAC4-fluoro-4-methyl-3-(thian-3-yl)piperidine
SMILESCC1(F)CCNCC1C1CCCSC1
InChIInChI=1S/C11H20FNS/c1-11(12)4-5-13-7-10(11)9-3-2-6-14-8-9/h9-10,13H,2-8H2,1H3
InChIKeyRAKROMISVLVMQR-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.47
Rot. Bonds1

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

4-fluoro-4-methyl-3-(thian-3-yl)piperidine (PubChem CID 115030335) has the molecular formula C11H20FNS and a molecular weight of 217.35 g/mol. Its IUPAC name is 4-fluoro-4-methyl-3-(thian-3-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-methyl-3-(thian-3-yl)piperidine
PubChem CID115030335
Molecular FormulaC11H20FNS
Molecular Weight217.35 g/mol
Exact Mass217.13
IUPAC Name4-fluoro-4-methyl-3-(thian-3-yl)piperidine
SMILESCC1(F)CCNCC1C1CCCSC1
InChIInChI=1S/C11H20FNS/c1-11(12)4-5-13-7-10(11)9-3-2-6-14-8-9/h9-10,13H,2-8H2,1H3
InChIKeyRAKROMISVLVMQR-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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Related Compounds

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4-Fluoro-4-(thian-4-yl)piperidine
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3-Fluoro-3-(thian-4-yl)piperidine
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4-[1-(2-Fluoroethylsulfanyl)ethyl]piperidine
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5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105156308
N-ethyl-5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine
CID 105156512
6,6,6-trifluoro-N-propyl-1-(thian-4-yl)hexan-2-amine
CID 105174294
3-Fluoro-4-(thian-4-yl)piperidine
CID 105426907
3,3-Difluoro-4-(thian-4-yl)piperidine
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9-Fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-3-(thian-3-yl)piperidine?
The IUPAC name of 4-fluoro-4-methyl-3-(thian-3-yl)piperidine (CID 115030335) is 4-fluoro-4-methyl-3-(thian-3-yl)piperidine.
What is the SMILES notation for 4-fluoro-4-methyl-3-(thian-3-yl)piperidine?
The canonical SMILES for 4-fluoro-4-methyl-3-(thian-3-yl)piperidine is CC1(F)CCNCC1C1CCCSC1.
What is the InChIKey of 4-fluoro-4-methyl-3-(thian-3-yl)piperidine?
The InChIKey is RAKROMISVLVMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNS/c1-11(12)4-5-13-7-10(11)9-3-2-6-14-8-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 4-fluoro-4-methyl-3-(thian-3-yl)piperidine?
4-fluoro-4-methyl-3-(thian-3-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 4-fluoro-4-methyl-3-(thian-3-yl)piperidine is sourced from PubChem (CID 115030335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).