2-(2-tert-butylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide

C12H18N2O2S — CID 117002998

IUPAC2-(2-tert-butylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)(C)c1ccccc1N1CCNS1(=O)=O
InChIInChI=1S/C12H18N2O2S/c1-12(2,3)10-6-4-5-7-11(10)14-9-8-13-17(14,15)16/h4-7,13H,8-9H2,1-3H3
InChIKeyMUXUDPFUGGCNSZ-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.64
Rot. Bonds1

About 2-(2-tert-butylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide

2-(2-tert-butylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 117002998) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(2-tert-butylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-tert-butylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID117002998
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(2-tert-butylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)(C)c1ccccc1N1CCNS1(=O)=O
InChIInChI=1S/C12H18N2O2S/c1-12(2,3)10-6-4-5-7-11(10)14-9-8-13-17(14,15)16/h4-7,13H,8-9H2,1-3H3
InChIKeyMUXUDPFUGGCNSZ-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-tert-butylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 117002998) is 2-(2-tert-butylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-tert-butylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-tert-butylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide is CC(C)(C)c1ccccc1N1CCNS1(=O)=O.
What is the InChIKey of 2-(2-tert-butylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is MUXUDPFUGGCNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(2,3)10-6-4-5-7-11(10)14-9-8-13-17(14,15)16/h4-7,13H,8-9H2,1-3H3.
What are the key properties of 2-(2-tert-butylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
2-(2-tert-butylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 254.35 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 117002998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).