4-fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine

C14H26FNO2S — CID 103392544

IUPAC4-fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H26FNO2S/c1-17-10-14(15,4-2-6-16)12-3-7-18-13(9-12)5-8-19-11-13/h12H,2-11,16H2,1H3
InChIKeyZYNAOTIETFBEGW-UHFFFAOYSA-N
MW291.43 g/mol
LogP2.38
Rot. Bonds6

About 4-fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine

4-fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine (PubChem CID 103392544) has the molecular formula C14H26FNO2S and a molecular weight of 291.43 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine
PubChem CID103392544
Molecular FormulaC14H26FNO2S
Molecular Weight291.43 g/mol
Exact Mass291.17
IUPAC Name4-fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H26FNO2S/c1-17-10-14(15,4-2-6-16)12-3-7-18-13(9-12)5-8-19-11-13/h12H,2-11,16H2,1H3
InChIKeyZYNAOTIETFBEGW-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine (CID 103392544) is 4-fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine is COCC(F)(CCCN)C1CCOC2(CCSC2)C1.
What is the InChIKey of 4-fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine?
The InChIKey is ZYNAOTIETFBEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO2S/c1-17-10-14(15,4-2-6-16)12-3-7-18-13(9-12)5-8-19-11-13/h12H,2-11,16H2,1H3.
What are the key properties of 4-fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine?
4-fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine has a molecular weight of 291.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine is sourced from PubChem (CID 103392544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).