N-[2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]-2-methylpropan-2-amine

C14H26FNOS — CID 107446573

IUPACN-[2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H26FNOS/c1-13(2,3)16-9-12(15)11-4-6-17-14(8-11)5-7-18-10-14/h11-12,16H,4-10H2,1-3H3
InChIKeyOSSQPWDIUFOEGR-UHFFFAOYSA-N
MW275.43 g/mol
LogP3.01
Rot. Bonds3

About N-[2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]-2-methylpropan-2-amine

N-[2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 107446573) has the molecular formula C14H26FNOS and a molecular weight of 275.43 g/mol. Its IUPAC name is N-[2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]-2-methylpropan-2-amine
PubChem CID107446573
Molecular FormulaC14H26FNOS
Molecular Weight275.43 g/mol
Exact Mass275.17
IUPAC NameN-[2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H26FNOS/c1-13(2,3)16-9-12(15)11-4-6-17-14(8-11)5-7-18-10-14/h11-12,16H,4-10H2,1-3H3
InChIKeyOSSQPWDIUFOEGR-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]-2-methylpropan-2-amine (CID 107446573) is N-[2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)C1CCOC2(CCSC2)C1.
What is the InChIKey of N-[2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is OSSQPWDIUFOEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNOS/c1-13(2,3)16-9-12(15)11-4-6-17-14(8-11)5-7-18-10-14/h11-12,16H,4-10H2,1-3H3.
What are the key properties of N-[2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]-2-methylpropan-2-amine?
N-[2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 275.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).