[1-(1,1-dioxothian-3-yl)-3-fluoro-3-methylcyclobutyl]methanamine

C11H20FNO2S — CID 115046492

IUPAC[1-(1,1-dioxothian-3-yl)-3-fluoro-3-methylcyclobutyl]methanamine
SMILESCC1(F)CC(CN)(C2CCCS(=O)(=O)C2)C1
InChIInChI=1S/C11H20FNO2S/c1-10(12)6-11(7-10,8-13)9-3-2-4-16(14,15)5-9/h9H,2-8,13H2,1H3
InChIKeyLPUPXSDHQQZCQJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.28
Rot. Bonds2

About [1-(1,1-dioxothian-3-yl)-3-fluoro-3-methylcyclobutyl]methanamine

[1-(1,1-dioxothian-3-yl)-3-fluoro-3-methylcyclobutyl]methanamine (PubChem CID 115046492) has the molecular formula C11H20FNO2S and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-(1,1-dioxothian-3-yl)-3-fluoro-3-methylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(1,1-dioxothian-3-yl)-3-fluoro-3-methylcyclobutyl]methanamine
PubChem CID115046492
Molecular FormulaC11H20FNO2S
Molecular Weight249.35 g/mol
Exact Mass249.12
IUPAC Name[1-(1,1-dioxothian-3-yl)-3-fluoro-3-methylcyclobutyl]methanamine
SMILESCC1(F)CC(CN)(C2CCCS(=O)(=O)C2)C1
InChIInChI=1S/C11H20FNO2S/c1-10(12)6-11(7-10,8-13)9-3-2-4-16(14,15)5-9/h9H,2-8,13H2,1H3
InChIKeyLPUPXSDHQQZCQJ-UHFFFAOYSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothian-3-yl)-3-fluoro-3-methylcyclobutyl]methanamine?
The IUPAC name of [1-(1,1-dioxothian-3-yl)-3-fluoro-3-methylcyclobutyl]methanamine (CID 115046492) is [1-(1,1-dioxothian-3-yl)-3-fluoro-3-methylcyclobutyl]methanamine.
What is the SMILES notation for [1-(1,1-dioxothian-3-yl)-3-fluoro-3-methylcyclobutyl]methanamine?
The canonical SMILES for [1-(1,1-dioxothian-3-yl)-3-fluoro-3-methylcyclobutyl]methanamine is CC1(F)CC(CN)(C2CCCS(=O)(=O)C2)C1.
What is the InChIKey of [1-(1,1-dioxothian-3-yl)-3-fluoro-3-methylcyclobutyl]methanamine?
The InChIKey is LPUPXSDHQQZCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2S/c1-10(12)6-11(7-10,8-13)9-3-2-4-16(14,15)5-9/h9H,2-8,13H2,1H3.
What are the key properties of [1-(1,1-dioxothian-3-yl)-3-fluoro-3-methylcyclobutyl]methanamine?
[1-(1,1-dioxothian-3-yl)-3-fluoro-3-methylcyclobutyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothian-3-yl)-3-fluoro-3-methylcyclobutyl]methanamine is sourced from PubChem (CID 115046492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).