1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]cyclopropan-1-amine

C9H16FNO2S — CID 84787968

IUPAC1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]cyclopropan-1-amine
SMILESNC1(CC2(F)CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C9H16FNO2S/c10-8(7-9(11)1-2-9)3-5-14(12,13)6-4-8/h1-7,11H2
InChIKeyKNRLXBZPTJTRJJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.78
Rot. Bonds2

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

1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]cyclopropan-1-amine (PubChem CID 84787968) has the molecular formula C9H16FNO2S and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]cyclopropan-1-amine
PubChem CID84787968
Molecular FormulaC9H16FNO2S
Molecular Weight221.30 g/mol
Exact Mass221.09
IUPAC Name1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]cyclopropan-1-amine
SMILESNC1(CC2(F)CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C9H16FNO2S/c10-8(7-9(11)1-2-9)3-5-14(12,13)6-4-8/h1-7,11H2
InChIKeyKNRLXBZPTJTRJJ-UHFFFAOYSA-N
XLogP0.78
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]cyclopropan-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 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]cyclopropan-1-amine (CID 84787968) is 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]cyclopropan-1-amine is NC1(CC2(F)CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is KNRLXBZPTJTRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2S/c10-8(7-9(11)1-2-9)3-5-14(12,13)6-4-8/h1-7,11H2.
What are the key properties of 1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]cyclopropan-1-amine?
1-[(4-fluoro-1,1-dioxothian-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 0.78, 2 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)methyl]cyclopropan-1-amine is sourced from PubChem (CID 84787968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).