1-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]ethanethiol

C11H21FN2S — CID 155091421

IUPAC1-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]ethanethiol
SMILESCC(S)N1CCC2(CC1)CC(F)C[C@H]2N
InChIInChI=1S/C11H21FN2S/c1-8(15)14-4-2-11(3-5-14)7-9(12)6-10(11)13/h8-10,15H,2-7,13H2,1H3/t8?,9?,10-/m1/s1
InChIKeyPNXTZCKVVAOJNV-UDNWOFFPSA-N
MW232.37 g/mol
LogP1.80
Rot. Bonds1

About 1-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]ethanethiol

1-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]ethanethiol (PubChem CID 155091421) has the molecular formula C11H21FN2S and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]ethanethiol.

Molecular Properties

Compound Name1-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]ethanethiol
PubChem CID155091421
Molecular FormulaC11H21FN2S
Molecular Weight232.37 g/mol
Exact Mass232.14
IUPAC Name1-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]ethanethiol
SMILESCC(S)N1CCC2(CC1)CC(F)C[C@H]2N
InChIInChI=1S/C11H21FN2S/c1-8(15)14-4-2-11(3-5-14)7-9(12)6-10(11)13/h8-10,15H,2-7,13H2,1H3/t8?,9?,10-/m1/s1
InChIKeyPNXTZCKVVAOJNV-UDNWOFFPSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]ethanethiol?
The IUPAC name of 1-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]ethanethiol (CID 155091421) is 1-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]ethanethiol.
What is the SMILES notation for 1-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]ethanethiol?
The canonical SMILES for 1-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]ethanethiol is CC(S)N1CCC2(CC1)CC(F)C[C@H]2N.
What is the InChIKey of 1-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]ethanethiol?
The InChIKey is PNXTZCKVVAOJNV-UDNWOFFPSA-N. The full InChI is InChI=1S/C11H21FN2S/c1-8(15)14-4-2-11(3-5-14)7-9(12)6-10(11)13/h8-10,15H,2-7,13H2,1H3/t8?,9?,10-/m1/s1.
What are the key properties of 1-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]ethanethiol?
1-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]ethanethiol has a molecular weight of 232.37 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]ethanethiol is sourced from PubChem (CID 155091421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).