4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide

C19H21NO3S — CID 141221061

IUPAC4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide
SMILESCC1(C)CC(c2c[nH]c3ccc(-c4ccoc4)cc23)CCS1(=O)=O
InChIInChI=1S/C19H21NO3S/c1-19(2)10-14(6-8-24(19,21)22)17-11-20-18-4-3-13(9-16(17)18)15-5-7-23-12-15/h3-5,7,9,11-12,14,20H,6,8,10H2,1-2H3
InChIKeyAAQNHGUMIJNGIJ-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.50
Rot. Bonds2

About 4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide

4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide (PubChem CID 141221061) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide.

Molecular Properties

Compound Name4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide
PubChem CID141221061
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide
SMILESCC1(C)CC(c2c[nH]c3ccc(-c4ccoc4)cc23)CCS1(=O)=O
InChIInChI=1S/C19H21NO3S/c1-19(2)10-14(6-8-24(19,21)22)17-11-20-18-4-3-13(9-16(17)18)15-5-7-23-12-15/h3-5,7,9,11-12,14,20H,6,8,10H2,1-2H3
InChIKeyAAQNHGUMIJNGIJ-UHFFFAOYSA-N
XLogP4.50
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide 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 4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide?
The IUPAC name of 4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide (CID 141221061) is 4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide.
What is the SMILES notation for 4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide?
The canonical SMILES for 4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide is CC1(C)CC(c2c[nH]c3ccc(-c4ccoc4)cc23)CCS1(=O)=O.
What is the InChIKey of 4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide?
The InChIKey is AAQNHGUMIJNGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-19(2)10-14(6-8-24(19,21)22)17-11-20-18-4-3-13(9-16(17)18)15-5-7-23-12-15/h3-5,7,9,11-12,14,20H,6,8,10H2,1-2H3.
What are the key properties of 4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide?
4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide has a molecular weight of 343.45 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide is sourced from PubChem (CID 141221061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).