N-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine

C10H19FN2S — CID 105473223

IUPACN-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine
SMILESFC1(CNC2CCCS2)CCNCC1
InChIInChI=1S/C10H19FN2S/c11-10(3-5-12-6-4-10)8-13-9-2-1-7-14-9/h9,12-13H,1-8H2
InChIKeyFGZSCRYCPBPYSL-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.52
Rot. Bonds3

About N-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine

N-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine (PubChem CID 105473223) has the molecular formula C10H19FN2S and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine.

Molecular Properties

Compound NameN-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine
PubChem CID105473223
Molecular FormulaC10H19FN2S
Molecular Weight218.34 g/mol
Exact Mass218.13
IUPAC NameN-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine
SMILESFC1(CNC2CCCS2)CCNCC1
InChIInChI=1S/C10H19FN2S/c11-10(3-5-12-6-4-10)8-13-9-2-1-7-14-9/h9,12-13H,1-8H2
InChIKeyFGZSCRYCPBPYSL-UHFFFAOYSA-N
XLogP1.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thia-8-azaspiro[4.5]decane hydrochloride
CID 121553396
2-Thia-8-azaspiro[4.5]decane
CID 63156531
4-(Fluoromethyl)-1-thia-8-azaspiro[4.5]decane
CID 71306178
4-[1-(2-Fluoroethylsulfanyl)ethyl]piperidine
CID 84020068
4-(3-Fluoropropylsulfanyl)piperidine
CID 84656241
3-(3-Fluoropropylsulfanyl)piperidine
CID 84656243
4-(2-Fluoro-2-methylpropyl)sulfanylpiperidine
CID 84663638
3-(2-Fluoro-2-methylpropyl)sulfanylpiperidine
CID 84663640
2-(4-fluorothian-4-yl)-N-methylethanamine
CID 84732156
N-[(4-fluoropiperidin-4-yl)methyl]thiolan-3-amine
CID 105473222
N-[(3-fluoropiperidin-3-yl)methyl]thiolan-3-amine
CID 105473224
N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine
CID 105473225

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine?
The IUPAC name of N-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine (CID 105473223) is N-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine.
What is the SMILES notation for N-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine?
The canonical SMILES for N-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine is FC1(CNC2CCCS2)CCNCC1.
What is the InChIKey of N-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine?
The InChIKey is FGZSCRYCPBPYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2S/c11-10(3-5-12-6-4-10)8-13-9-2-1-7-14-9/h9,12-13H,1-8H2.
What are the key properties of N-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine?
N-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine has a molecular weight of 218.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine is sourced from PubChem (CID 105473223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).