4-fluoro-5-methoxy-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine

C15H28FNO2S — CID 103392601

IUPAC4-fluoro-5-methoxy-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H28FNO2S/c1-18-12-15(16,4-2-7-17)13-3-8-19-14(11-13)5-9-20-10-6-14/h13H,2-12,17H2,1H3
InChIKeyJNVIUHQRFOTLNH-UHFFFAOYSA-N
MW305.46 g/mol
LogP2.77
Rot. Bonds6

About 4-fluoro-5-methoxy-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine

4-fluoro-5-methoxy-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine (PubChem CID 103392601) has the molecular formula C15H28FNO2S and a molecular weight of 305.46 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine
PubChem CID103392601
Molecular FormulaC15H28FNO2S
Molecular Weight305.46 g/mol
Exact Mass305.18
IUPAC Name4-fluoro-5-methoxy-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H28FNO2S/c1-18-12-15(16,4-2-7-17)13-3-8-19-14(11-13)5-9-20-10-6-14/h13H,2-12,17H2,1H3
InChIKeyJNVIUHQRFOTLNH-UHFFFAOYSA-N
XLogP2.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,9-Dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392491
4-Fluoro-5-methoxy-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine
CID 103392544
3-Fluoro-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 104276950
2-[Fluoro(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine
CID 107443554
2-[Fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine
CID 107443614
2-Fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 112562746
3-Fluoro-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclobutan-1-amine
CID 112564148
2-Fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 112565211
2-Fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 112565226
2-Fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 112566112
2-Fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 112566127
2-Fluoro-3,3-dimethyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 112566648

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine (CID 103392601) is 4-fluoro-5-methoxy-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine is COCC(F)(CCCN)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 4-fluoro-5-methoxy-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine?
The InChIKey is JNVIUHQRFOTLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO2S/c1-18-12-15(16,4-2-7-17)13-3-8-19-14(11-13)5-9-20-10-6-14/h13H,2-12,17H2,1H3.
What are the key properties of 4-fluoro-5-methoxy-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine?
4-fluoro-5-methoxy-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 2.77, 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-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-amine is sourced from PubChem (CID 103392601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).