(3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide

C6H8N2O3S — CID 142711098

IUPAC(3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NC[C@@H](c2ccco2)N1
InChIInChI=1S/C6H8N2O3S/c9-12(10)7-4-5(8-12)6-2-1-3-11-6/h1-3,5,7-8H,4H2/t5-/m0/s1
InChIKeyMMADCBVUCCFMMS-YFKPBYRVSA-N
MW188.21 g/mol
LogP-0.24
Rot. Bonds1

About (3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide

(3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 142711098) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is (3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID142711098
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name(3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NC[C@@H](c2ccco2)N1
InChIInChI=1S/C6H8N2O3S/c9-12(10)7-4-5(8-12)6-2-1-3-11-6/h1-3,5,7-8H,4H2/t5-/m0/s1
InChIKeyMMADCBVUCCFMMS-YFKPBYRVSA-N
XLogP-0.24
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of (3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 142711098) is (3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for (3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for (3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide is O=S1(=O)NC[C@@H](c2ccco2)N1.
What is the InChIKey of (3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is MMADCBVUCCFMMS-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8N2O3S/c9-12(10)7-4-5(8-12)6-2-1-3-11-6/h1-3,5,7-8H,4H2/t5-/m0/s1.
What are the key properties of (3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide?
(3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 188.21 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(furan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 142711098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).