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

C10H18FNO2S — CID 105426913

IUPAC4-(3-fluoropiperidin-4-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(C2CCNCC2F)CC1
InChIInChI=1S/C10H18FNO2S/c11-10-7-12-4-1-9(10)8-2-5-15(13,14)6-3-8/h8-10,12H,1-7H2
InChIKeyHTJDDNIWPCQTLK-UHFFFAOYSA-N
MW235.32 g/mol
LogP0.76
Rot. Bonds1

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

4-(3-fluoropiperidin-4-yl)thiane 1,1-dioxide (PubChem CID 105426913) has the molecular formula C10H18FNO2S and a molecular weight of 235.32 g/mol. Its IUPAC name is 4-(3-fluoropiperidin-4-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-fluoropiperidin-4-yl)thiane 1,1-dioxide
PubChem CID105426913
Molecular FormulaC10H18FNO2S
Molecular Weight235.32 g/mol
Exact Mass235.10
IUPAC Name4-(3-fluoropiperidin-4-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(C2CCNCC2F)CC1
InChIInChI=1S/C10H18FNO2S/c11-10-7-12-4-1-9(10)8-2-5-15(13,14)6-3-8/h8-10,12H,1-7H2
InChIKeyHTJDDNIWPCQTLK-UHFFFAOYSA-N
XLogP0.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine
CID 130985817
4-piperidin-4-ylthiane 1,1-dioxide
CID 82614676
1,2,3,3a,4,6,7,7a-octahydrothiopyrano[3,4-c]pyrrole 5,5-dioxide
CID 105436279
(3S,4R)-4-fluoropiperidin-3-amine
CID 97053659
1,1-dioxo-N-[(3R)-pyrrolidin-3-yl]thiane-4-sulfonamide
CID 79686071
(3R,4S)-3-fluoropiperidin-4-amine;hydrochloride
CID 170923054
3,4-di(cyclooctyl)piperidine
CID 54064226
[(3S,4R)-3-fluoropiperidin-4-yl] carbamate
CID 175145817
4-(5-fluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)thiane 1,1-dioxide
CID 115048853
(3R)-4-cyclopropylpiperidin-3-amine;dihydrochloride
CID 76844694
(1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane
CID 130682149
[(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid
CID 68560075

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropiperidin-4-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(3-fluoropiperidin-4-yl)thiane 1,1-dioxide (CID 105426913) is 4-(3-fluoropiperidin-4-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(3-fluoropiperidin-4-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(3-fluoropiperidin-4-yl)thiane 1,1-dioxide is O=S1(=O)CCC(C2CCNCC2F)CC1.
What is the InChIKey of 4-(3-fluoropiperidin-4-yl)thiane 1,1-dioxide?
The InChIKey is HTJDDNIWPCQTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2S/c11-10-7-12-4-1-9(10)8-2-5-15(13,14)6-3-8/h8-10,12H,1-7H2.
What are the key properties of 4-(3-fluoropiperidin-4-yl)thiane 1,1-dioxide?
4-(3-fluoropiperidin-4-yl)thiane 1,1-dioxide has a molecular weight of 235.32 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropiperidin-4-yl)thiane 1,1-dioxide is sourced from PubChem (CID 105426913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).