3-(2-fluoro-2-methylpropyl)sulfanylpiperidine

C9H18FNS — CID 84663640

IUPAC3-(2-fluoro-2-methylpropyl)sulfanylpiperidine
SMILESCC(C)(F)CSC1CCCNC1
InChIInChI=1S/C9H18FNS/c1-9(2,10)7-12-8-4-3-5-11-6-8/h8,11H,3-7H2,1-2H3
InChIKeyGQLQKBUGWJTMIA-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.22
Rot. Bonds3

About 3-(2-fluoro-2-methylpropyl)sulfanylpiperidine

3-(2-fluoro-2-methylpropyl)sulfanylpiperidine (PubChem CID 84663640) has the molecular formula C9H18FNS and a molecular weight of 191.31 g/mol. Its IUPAC name is 3-(2-fluoro-2-methylpropyl)sulfanylpiperidine.

Molecular Properties

Compound Name3-(2-fluoro-2-methylpropyl)sulfanylpiperidine
PubChem CID84663640
Molecular FormulaC9H18FNS
Molecular Weight191.31 g/mol
Exact Mass191.11
IUPAC Name3-(2-fluoro-2-methylpropyl)sulfanylpiperidine
SMILESCC(C)(F)CSC1CCCNC1
InChIInChI=1S/C9H18FNS/c1-9(2,10)7-12-8-4-3-5-11-6-8/h8,11H,3-7H2,1-2H3
InChIKeyGQLQKBUGWJTMIA-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-Dithiazine, perhydro-6-butyl-2,4-dimethyl
CID 529058
2H-1,3-Thiazine, tetrahydro-2-butyl-, hydrochloride
CID 3061405
2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061407
4-((Ethylsulfanyl)methyl)piperidine hydrochloride
CID 72716513
(2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane
CID 162979695
4-(Tert-butylsulfanyl)piperidine hydrochloride
CID 72716464
N-[2-(propylthio)ethyl]piperidin-4-amine
CID 56722598
2-Butyl-1,3-thiazinane
CID 3061406
4-Methylthiopiperidine
CID 17805752
4-[(Ethylsulfanyl)methyl]piperidine
CID 61683930
4-(2,2,2-Trifluoroethylsulfanylmethyl)piperidine
CID 66802879
4-Tert-butylsulfanylpiperidine
CID 71778000

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-2-methylpropyl)sulfanylpiperidine?
The IUPAC name of 3-(2-fluoro-2-methylpropyl)sulfanylpiperidine (CID 84663640) is 3-(2-fluoro-2-methylpropyl)sulfanylpiperidine.
What is the SMILES notation for 3-(2-fluoro-2-methylpropyl)sulfanylpiperidine?
The canonical SMILES for 3-(2-fluoro-2-methylpropyl)sulfanylpiperidine is CC(C)(F)CSC1CCCNC1.
What is the InChIKey of 3-(2-fluoro-2-methylpropyl)sulfanylpiperidine?
The InChIKey is GQLQKBUGWJTMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNS/c1-9(2,10)7-12-8-4-3-5-11-6-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-(2-fluoro-2-methylpropyl)sulfanylpiperidine?
3-(2-fluoro-2-methylpropyl)sulfanylpiperidine has a molecular weight of 191.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-2-methylpropyl)sulfanylpiperidine is sourced from PubChem (CID 84663640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).