2-[[4-(2-methylpropyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide

C13H20N2O2S — CID 56668914

IUPAC2-[[4-(2-methylpropyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)Cc1ccc(CN2CCNS2(=O)=O)cc1
InChIInChI=1S/C13H20N2O2S/c1-11(2)9-12-3-5-13(6-4-12)10-15-8-7-14-18(15,16)17/h3-6,11,14H,7-10H2,1-2H3
InChIKeyFPETWJKRWCLZNP-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.54
Rot. Bonds4

About 2-[[4-(2-methylpropyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide

2-[[4-(2-methylpropyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 56668914) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[[4-(2-methylpropyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[[4-(2-methylpropyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID56668914
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[[4-(2-methylpropyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)Cc1ccc(CN2CCNS2(=O)=O)cc1
InChIInChI=1S/C13H20N2O2S/c1-11(2)9-12-3-5-13(6-4-12)10-15-8-7-14-18(15,16)17/h3-6,11,14H,7-10H2,1-2H3
InChIKeyFPETWJKRWCLZNP-UHFFFAOYSA-N
XLogP1.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylpropyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-[[4-(2-methylpropyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide (CID 56668914) is 2-[[4-(2-methylpropyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[[4-(2-methylpropyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-[[4-(2-methylpropyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide is CC(C)Cc1ccc(CN2CCNS2(=O)=O)cc1.
What is the InChIKey of 2-[[4-(2-methylpropyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is FPETWJKRWCLZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11(2)9-12-3-5-13(6-4-12)10-15-8-7-14-18(15,16)17/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 2-[[4-(2-methylpropyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
2-[[4-(2-methylpropyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 268.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpropyl)phenyl]methyl]-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 56668914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).