3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine

C9H13NO3S — CID 115338002

IUPAC3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine
SMILESNC1(Cc2ccco2)CCS(=O)(=O)C1
InChIInChI=1S/C9H13NO3S/c10-9(3-5-14(11,12)7-9)6-8-2-1-4-13-8/h1-2,4H,3,5-7,10H2
InChIKeyZJAUSFJYORDYBB-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.34
Rot. Bonds2

About 3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine

3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine (PubChem CID 115338002) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine
PubChem CID115338002
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine
SMILESNC1(Cc2ccco2)CCS(=O)(=O)C1
InChIInChI=1S/C9H13NO3S/c10-9(3-5-14(11,12)7-9)6-8-2-1-4-13-8/h1-2,4H,3,5-7,10H2
InChIKeyZJAUSFJYORDYBB-UHFFFAOYSA-N
XLogP0.34
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-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 3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of 3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine (CID 115338002) is 3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for 3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine is NC1(Cc2ccco2)CCS(=O)(=O)C1.
What is the InChIKey of 3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine?
The InChIKey is ZJAUSFJYORDYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c10-9(3-5-14(11,12)7-9)6-8-2-1-4-13-8/h1-2,4H,3,5-7,10H2.
What are the key properties of 3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine?
3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine has a molecular weight of 215.27 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 115338002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).