2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide

C9H14N2O3S — CID 47293788

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCc1noc(C)c1CN1CCCS1(=O)=O
InChIInChI=1S/C9H14N2O3S/c1-7-9(8(2)14-10-7)6-11-4-3-5-15(11,12)13/h3-6H2,1-2H3
InChIKeyHUXZGWFMLJTHJB-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.83
Rot. Bonds2

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 47293788) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID47293788
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCc1noc(C)c1CN1CCCS1(=O)=O
InChIInChI=1S/C9H14N2O3S/c1-7-9(8(2)14-10-7)6-11-4-3-5-15(11,12)13/h3-6H2,1-2H3
InChIKeyHUXZGWFMLJTHJB-UHFFFAOYSA-N
XLogP0.83
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide (CID 47293788) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide is Cc1noc(C)c1CN1CCCS1(=O)=O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is HUXZGWFMLJTHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-7-9(8(2)14-10-7)6-11-4-3-5-15(11,12)13/h3-6H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 230.29 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 47293788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).