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

C13H24FNOS — CID 112567912

IUPAC2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine
SMILESCCCC(F)(CN)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H24FNOS/c1-2-4-13(14,9-15)11-3-6-16-12(8-11)5-7-17-10-12/h11H,2-10,15H2,1H3
InChIKeyPSRZFVDXKIJWQO-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.76
Rot. Bonds4

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

2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine (PubChem CID 112567912) has the molecular formula C13H24FNOS and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine
PubChem CID112567912
Molecular FormulaC13H24FNOS
Molecular Weight261.41 g/mol
Exact Mass261.16
IUPAC Name2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine
SMILESCCCC(F)(CN)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H24FNOS/c1-2-4-13(14,9-15)11-3-6-16-12(8-11)5-7-17-10-12/h11H,2-10,15H2,1H3
InChIKeyPSRZFVDXKIJWQO-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine?
The IUPAC name of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine (CID 112567912) is 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine.
What is the SMILES notation for 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine?
The canonical SMILES for 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine is CCCC(F)(CN)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine?
The InChIKey is PSRZFVDXKIJWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNOS/c1-2-4-13(14,9-15)11-3-6-16-12(8-11)5-7-17-10-12/h11H,2-10,15H2,1H3.
What are the key properties of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine?
2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine is sourced from PubChem (CID 112567912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).