3,3-difluoro-4-(thian-4-yl)piperidine

C10H17F2NS — CID 105426908

IUPAC3,3-difluoro-4-(thian-4-yl)piperidine
SMILESFC1(F)CNCCC1C1CCSCC1
InChIInChI=1S/C10H17F2NS/c11-10(12)7-13-4-1-9(10)8-2-5-14-6-3-8/h8-9,13H,1-7H2
InChIKeyYDBRDAOAMOIDQF-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.37
Rot. Bonds1

About 3,3-difluoro-4-(thian-4-yl)piperidine

3,3-difluoro-4-(thian-4-yl)piperidine (PubChem CID 105426908) has the molecular formula C10H17F2NS and a molecular weight of 221.32 g/mol. Its IUPAC name is 3,3-difluoro-4-(thian-4-yl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-4-(thian-4-yl)piperidine
PubChem CID105426908
Molecular FormulaC10H17F2NS
Molecular Weight221.32 g/mol
Exact Mass221.10
IUPAC Name3,3-difluoro-4-(thian-4-yl)piperidine
SMILESFC1(F)CNCCC1C1CCSCC1
InChIInChI=1S/C10H17F2NS/c11-10(12)7-13-4-1-9(10)8-2-5-14-6-3-8/h8-9,13H,1-7H2
InChIKeyYDBRDAOAMOIDQF-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-4-(thian-4-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-Thia-2-azaspiro(5.5)undecane
CID 64221435
4-{[(2,2,2-Trifluoroethyl)sulfanyl]methyl}piperidine hydrochloride
CID 66802878
4-(2,2,2-Trifluoroethylsulfanylmethyl)piperidine
CID 66802879
2-[5-(Trifluoromethyl)piperidin-2-yl]sulfanylethanamine
CID 140479016
4-Fluoro-4-methylsulfanyl-1-(3-piperidin-4-ylbutyl)piperidine
CID 170615892
5-Methyl-2-(trifluoromethylsulfanyl)piperidine;propane
CID 176942168
N-[3-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434425
N-[2-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434513
N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434641
N-[4-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 55129689
N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 55129690
N-[3-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 62871811

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(thian-4-yl)piperidine?
The IUPAC name of 3,3-difluoro-4-(thian-4-yl)piperidine (CID 105426908) is 3,3-difluoro-4-(thian-4-yl)piperidine.
What is the SMILES notation for 3,3-difluoro-4-(thian-4-yl)piperidine?
The canonical SMILES for 3,3-difluoro-4-(thian-4-yl)piperidine is FC1(F)CNCCC1C1CCSCC1.
What is the InChIKey of 3,3-difluoro-4-(thian-4-yl)piperidine?
The InChIKey is YDBRDAOAMOIDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NS/c11-10(12)7-13-4-1-9(10)8-2-5-14-6-3-8/h8-9,13H,1-7H2.
What are the key properties of 3,3-difluoro-4-(thian-4-yl)piperidine?
3,3-difluoro-4-(thian-4-yl)piperidine has a molecular weight of 221.32 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(thian-4-yl)piperidine is sourced from PubChem (CID 105426908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).