3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine

C14H24FNOS — CID 112567604

IUPAC3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine
SMILESNC1CCCC(F)(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C14H24FNOS/c15-14(4-1-2-12(16)9-14)11-3-6-17-13(8-11)5-7-18-10-13/h11-12H,1-10,16H2
InChIKeyQXLKUCBHCLFAAP-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.90
Rot. Bonds1

About 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine

3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine (PubChem CID 112567604) has the molecular formula C14H24FNOS and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine
PubChem CID112567604
Molecular FormulaC14H24FNOS
Molecular Weight273.42 g/mol
Exact Mass273.16
IUPAC Name3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine
SMILESNC1CCCC(F)(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C14H24FNOS/c15-14(4-1-2-12(16)9-14)11-3-6-17-13(8-11)5-7-18-10-13/h11-12H,1-10,16H2
InChIKeyQXLKUCBHCLFAAP-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The IUPAC name of 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine (CID 112567604) is 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The canonical SMILES for 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine is NC1CCCC(F)(C2CCOC3(CCSC3)C2)C1.
What is the InChIKey of 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The InChIKey is QXLKUCBHCLFAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNOS/c15-14(4-1-2-12(16)9-14)11-3-6-17-13(8-11)5-7-18-10-13/h11-12H,1-10,16H2.
What are the key properties of 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-amine is sourced from PubChem (CID 112567604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).