2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide

C8H12N2O3S — CID 117026535

IUPAC2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCN1CCN(Cc2ccco2)S1(=O)=O
InChIInChI=1S/C8H12N2O3S/c1-9-4-5-10(14(9,11)12)7-8-3-2-6-13-8/h2-3,6H,4-5,7H2,1H3
InChIKeyWIFADXXJVDCDDD-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.27
Rot. Bonds2

About 2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide

2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 117026535) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID117026535
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCN1CCN(Cc2ccco2)S1(=O)=O
InChIInChI=1S/C8H12N2O3S/c1-9-4-5-10(14(9,11)12)7-8-3-2-6-13-8/h2-3,6H,4-5,7H2,1H3
InChIKeyWIFADXXJVDCDDD-UHFFFAOYSA-N
XLogP0.27
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane
CID 175739385
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 22689734
4-[2-(furan-2-yl)ethyl]-1-methylpiperidine
CID 23800356
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071
2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 79810335
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one
CID 6553776
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
CID 97372623

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide (CID 117026535) is 2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is CN1CCN(Cc2ccco2)S1(=O)=O.
What is the InChIKey of 2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is WIFADXXJVDCDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-9-4-5-10(14(9,11)12)7-8-3-2-6-13-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 216.26 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 117026535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).