2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine

C9H18FNO2S — CID 105480924

IUPAC2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)C1(F)CCS(=O)(=O)CC1
InChIInChI=1S/C9H18FNO2S/c1-8(2,7-11)9(10)3-5-14(12,13)6-4-9/h3-7,11H2,1-2H3
InChIKeyJGNNSVGKVNAGSE-UHFFFAOYSA-N
MW223.31 g/mol
LogP0.89
Rot. Bonds2

About 2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine

2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine (PubChem CID 105480924) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is 2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine
PubChem CID105480924
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)C1(F)CCS(=O)(=O)CC1
InChIInChI=1S/C9H18FNO2S/c1-8(2,7-11)9(10)3-5-14(12,13)6-4-9/h3-7,11H2,1-2H3
InChIKeyJGNNSVGKVNAGSE-UHFFFAOYSA-N
XLogP0.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine (CID 105480924) is 2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine is CC(C)(CN)C1(F)CCS(=O)(=O)CC1.
What is the InChIKey of 2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine?
The InChIKey is JGNNSVGKVNAGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-8(2,7-11)9(10)3-5-14(12,13)6-4-9/h3-7,11H2,1-2H3.
What are the key properties of 2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine?
2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine has a molecular weight of 223.31 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1,1-dioxothian-4-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 105480924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).