[8-fluoro-6-(1-propan-2-ylcyclopropyl)sulfonyl-6-azaspiro[3.4]octan-8-yl]methanol

C14H24FNO3S — CID 166282344

IUPAC[8-fluoro-6-(1-propan-2-ylcyclopropyl)sulfonyl-6-azaspiro[3.4]octan-8-yl]methanol
SMILESCC(C)C1(S(=O)(=O)N2CC(F)(CO)C3(CCC3)C2)CC1
InChIInChI=1S/C14H24FNO3S/c1-11(2)13(6-7-13)20(18,19)16-8-12(4-3-5-12)14(15,9-16)10-17/h11,17H,3-10H2,1-2H3
InChIKeyXMULRUAEVGNEEY-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.69
Rot. Bonds4

About [8-fluoro-6-(1-propan-2-ylcyclopropyl)sulfonyl-6-azaspiro[3.4]octan-8-yl]methanol

[8-fluoro-6-(1-propan-2-ylcyclopropyl)sulfonyl-6-azaspiro[3.4]octan-8-yl]methanol (PubChem CID 166282344) has the molecular formula C14H24FNO3S and a molecular weight of 305.41 g/mol. Its IUPAC name is [8-fluoro-6-(1-propan-2-ylcyclopropyl)sulfonyl-6-azaspiro[3.4]octan-8-yl]methanol.

Molecular Properties

Compound Name[8-fluoro-6-(1-propan-2-ylcyclopropyl)sulfonyl-6-azaspiro[3.4]octan-8-yl]methanol
PubChem CID166282344
Molecular FormulaC14H24FNO3S
Molecular Weight305.41 g/mol
Exact Mass305.15
IUPAC Name[8-fluoro-6-(1-propan-2-ylcyclopropyl)sulfonyl-6-azaspiro[3.4]octan-8-yl]methanol
SMILESCC(C)C1(S(=O)(=O)N2CC(F)(CO)C3(CCC3)C2)CC1
InChIInChI=1S/C14H24FNO3S/c1-11(2)13(6-7-13)20(18,19)16-8-12(4-3-5-12)14(15,9-16)10-17/h11,17H,3-10H2,1-2H3
InChIKeyXMULRUAEVGNEEY-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [8-fluoro-6-(1-propan-2-ylcyclopropyl)sulfonyl-6-azaspiro[3.4]octan-8-yl]methanol?
The IUPAC name of [8-fluoro-6-(1-propan-2-ylcyclopropyl)sulfonyl-6-azaspiro[3.4]octan-8-yl]methanol (CID 166282344) is [8-fluoro-6-(1-propan-2-ylcyclopropyl)sulfonyl-6-azaspiro[3.4]octan-8-yl]methanol.
What is the SMILES notation for [8-fluoro-6-(1-propan-2-ylcyclopropyl)sulfonyl-6-azaspiro[3.4]octan-8-yl]methanol?
The canonical SMILES for [8-fluoro-6-(1-propan-2-ylcyclopropyl)sulfonyl-6-azaspiro[3.4]octan-8-yl]methanol is CC(C)C1(S(=O)(=O)N2CC(F)(CO)C3(CCC3)C2)CC1.
What is the InChIKey of [8-fluoro-6-(1-propan-2-ylcyclopropyl)sulfonyl-6-azaspiro[3.4]octan-8-yl]methanol?
The InChIKey is XMULRUAEVGNEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO3S/c1-11(2)13(6-7-13)20(18,19)16-8-12(4-3-5-12)14(15,9-16)10-17/h11,17H,3-10H2,1-2H3.
What are the key properties of [8-fluoro-6-(1-propan-2-ylcyclopropyl)sulfonyl-6-azaspiro[3.4]octan-8-yl]methanol?
[8-fluoro-6-(1-propan-2-ylcyclopropyl)sulfonyl-6-azaspiro[3.4]octan-8-yl]methanol has a molecular weight of 305.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-fluoro-6-(1-propan-2-ylcyclopropyl)sulfonyl-6-azaspiro[3.4]octan-8-yl]methanol is sourced from PubChem (CID 166282344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).