1-(4-fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine

C8H14FNO2S — CID 84779603

IUPAC1-(4-fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine
SMILESNC1(C2(F)CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C8H14FNO2S/c9-7(8(10)1-2-8)3-5-13(11,12)6-4-7/h1-6,10H2
InChIKeyDOODAAXVWPKXAD-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.39
Rot. Bonds1

About 1-(4-fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine

1-(4-fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine (PubChem CID 84779603) has the molecular formula C8H14FNO2S and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(4-fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine
PubChem CID84779603
Molecular FormulaC8H14FNO2S
Molecular Weight207.27 g/mol
Exact Mass207.07
IUPAC Name1-(4-fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine
SMILESNC1(C2(F)CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C8H14FNO2S/c9-7(8(10)1-2-8)3-5-13(11,12)6-4-7/h1-6,10H2
InChIKeyDOODAAXVWPKXAD-UHFFFAOYSA-N
XLogP0.39
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(4-fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine (CID 84779603) is 1-(4-fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine is NC1(C2(F)CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 1-(4-fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine?
The InChIKey is DOODAAXVWPKXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2S/c9-7(8(10)1-2-8)3-5-13(11,12)6-4-7/h1-6,10H2.
What are the key properties of 1-(4-fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine?
1-(4-fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine has a molecular weight of 207.27 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1,1-dioxothian-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 84779603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).