4-(2-fluoropropan-2-yl)-1,1-dioxothian-4-amine

C8H16FNO2S — CID 84780769

IUPAC4-(2-fluoropropan-2-yl)-1,1-dioxothian-4-amine
SMILESCC(C)(F)C1(N)CCS(=O)(=O)CC1
InChIInChI=1S/C8H16FNO2S/c1-7(2,9)8(10)3-5-13(11,12)6-4-8/h3-6,10H2,1-2H3
InChIKeyZKUABZZHCWSVLW-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.64
Rot. Bonds1

About 4-(2-fluoropropan-2-yl)-1,1-dioxothian-4-amine

4-(2-fluoropropan-2-yl)-1,1-dioxothian-4-amine (PubChem CID 84780769) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-1,1-dioxothian-4-amine
PubChem CID84780769
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name4-(2-fluoropropan-2-yl)-1,1-dioxothian-4-amine
SMILESCC(C)(F)C1(N)CCS(=O)(=O)CC1
InChIInChI=1S/C8H16FNO2S/c1-7(2,9)8(10)3-5-13(11,12)6-4-8/h3-6,10H2,1-2H3
InChIKeyZKUABZZHCWSVLW-UHFFFAOYSA-N
XLogP0.64
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-1,1-dioxothian-4-amine?
The IUPAC name of 4-(2-fluoropropan-2-yl)-1,1-dioxothian-4-amine (CID 84780769) is 4-(2-fluoropropan-2-yl)-1,1-dioxothian-4-amine.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-1,1-dioxothian-4-amine?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-1,1-dioxothian-4-amine is CC(C)(F)C1(N)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-1,1-dioxothian-4-amine?
The InChIKey is ZKUABZZHCWSVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-7(2,9)8(10)3-5-13(11,12)6-4-8/h3-6,10H2,1-2H3.
What are the key properties of 4-(2-fluoropropan-2-yl)-1,1-dioxothian-4-amine?
4-(2-fluoropropan-2-yl)-1,1-dioxothian-4-amine has a molecular weight of 209.29 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 84780769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).