2-ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide

C11H23NO2S — CID 70939934

IUPAC2-ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide
SMILESCCC(C)CCC1CCS(=O)(=O)N1CC
InChIInChI=1S/C11H23NO2S/c1-4-10(3)6-7-11-8-9-15(13,14)12(11)5-2/h10-11H,4-9H2,1-3H3
InChIKeyYBJJCGOEPCSRDU-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.24
Rot. Bonds5

About 2-ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide

2-ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 70939934) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID70939934
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide
SMILESCCC(C)CCC1CCS(=O)(=O)N1CC
InChIInChI=1S/C11H23NO2S/c1-4-10(3)6-7-11-8-9-15(13,14)12(11)5-2/h10-11H,4-9H2,1-3H3
InChIKeyYBJJCGOEPCSRDU-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide (CID 70939934) is 2-ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide is CCC(C)CCC1CCS(=O)(=O)N1CC.
What is the InChIKey of 2-ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is YBJJCGOEPCSRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-10(3)6-7-11-8-9-15(13,14)12(11)5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide?
2-ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 233.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-methylpentyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 70939934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).