(4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide

C10H9NO4S — CID 142711103

IUPAC(4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide
SMILESO=S1(=O)N[C@H](c2cc3ccccc3o2)CO1
InChIInChI=1S/C10H9NO4S/c12-16(13)11-8(6-14-16)10-5-7-3-1-2-4-9(7)15-10/h1-5,8,11H,6H2/t8-/m0/s1
InChIKeyQEXGOBWYTQEYPM-QMMMGPOBSA-N
MW239.25 g/mol
LogP1.34
Rot. Bonds1

About (4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide

(4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide (PubChem CID 142711103) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is (4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name(4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide
PubChem CID142711103
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Name(4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide
SMILESO=S1(=O)N[C@H](c2cc3ccccc3o2)CO1
InChIInChI=1S/C10H9NO4S/c12-16(13)11-8(6-14-16)10-5-7-3-1-2-4-9(7)15-10/h1-5,8,11H,6H2/t8-/m0/s1
InChIKeyQEXGOBWYTQEYPM-QMMMGPOBSA-N
XLogP1.34
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-1-benzofuran
CID 12528043
2-(dioxetan-3-yl)-1-benzofuran
CID 139777260
3-(1-benzofuran-2-yl)-1,4-thiazepane
CID 66216793
2-(3,4-dimethyloxolan-2-yl)-1-benzofuran
CID 118967498
5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid
CID 112693433
methyl 5-(1-benzofuran-2-yl)-1,1-dioxo-1,4-thiazinane-3-carboxylate
CID 65171490
3-(1-benzofuran-2-yl)-5-methyl-1,4-thiazepane
CID 66232168
3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine
CID 133204360
2-(1-benzofuran-2-yl)-1,3-thiazolidine
CID 63898466
(4R,5R)-5-(1-benzofuran-2-yl)-4-methyloxolan-2-one
CID 15053872
3-(1-benzofuran-2-yl)-2-methylpyrrolidine
CID 63897339
3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine
CID 114733615

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide?
The IUPAC name of (4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide (CID 142711103) is (4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide.
What is the SMILES notation for (4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide?
The canonical SMILES for (4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide is O=S1(=O)N[C@H](c2cc3ccccc3o2)CO1.
What is the InChIKey of (4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide?
The InChIKey is QEXGOBWYTQEYPM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9NO4S/c12-16(13)11-8(6-14-16)10-5-7-3-1-2-4-9(7)15-10/h1-5,8,11H,6H2/t8-/m0/s1.
What are the key properties of (4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide?
(4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide has a molecular weight of 239.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide is sourced from PubChem (CID 142711103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).