4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide

C10H17F2NO2S — CID 105426914

IUPAC4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(C2CCNCC2(F)F)CC1
InChIInChI=1S/C10H17F2NO2S/c11-10(12)7-13-4-1-9(10)8-2-5-16(14,15)6-3-8/h8-9,13H,1-7H2
InChIKeyBOGWXEVQOVDLDC-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.06
Rot. Bonds1

About 4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide

4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide (PubChem CID 105426914) has the molecular formula C10H17F2NO2S and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide
PubChem CID105426914
Molecular FormulaC10H17F2NO2S
Molecular Weight253.31 g/mol
Exact Mass253.09
IUPAC Name4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(C2CCNCC2(F)F)CC1
InChIInChI=1S/C10H17F2NO2S/c11-10(12)7-13-4-1-9(10)8-2-5-16(14,15)6-3-8/h8-9,13H,1-7H2
InChIKeyBOGWXEVQOVDLDC-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide 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

1-Thia-4-azaspiro[5.5]undecane, 1,1-dioxide
CID 71755714
9,9-Difluoro-3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3-dione
CID 105464840
2-Methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
CID 156508692
3-(Trifluoromethylsulfonylmethyl)piperidine
CID 157475885
3-(2,2,2-Trifluoroethylsulfonylmethyl)piperidine
CID 160563827
3-Butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
CID 167269058
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43730474
1,1-dioxo-N-[2-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43730757
1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43747496
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 63923212
1,1-dioxo-N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 63923408
1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 63924394

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide (CID 105426914) is 4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide is O=S1(=O)CCC(C2CCNCC2(F)F)CC1.
What is the InChIKey of 4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide?
The InChIKey is BOGWXEVQOVDLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2S/c11-10(12)7-13-4-1-9(10)8-2-5-16(14,15)6-3-8/h8-9,13H,1-7H2.
What are the key properties of 4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide?
4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide has a molecular weight of 253.31 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropiperidin-4-yl)thiane 1,1-dioxide is sourced from PubChem (CID 105426914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).