4-methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide

C6H14N2O2S — CID 89038662

IUPAC4-methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC1CN(C(C)C)S(=O)(=O)N1
InChIInChI=1S/C6H14N2O2S/c1-5(2)8-4-6(3)7-11(8,9)10/h5-7H,4H2,1-3H3
InChIKeyUHPGQPPNVZZIAL-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.07
Rot. Bonds1

About 4-methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide

4-methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 89038662) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID89038662
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name4-methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC1CN(C(C)C)S(=O)(=O)N1
InChIInChI=1S/C6H14N2O2S/c1-5(2)8-4-6(3)7-11(8,9)10/h5-7H,4H2,1-3H3
InChIKeyUHPGQPPNVZZIAL-UHFFFAOYSA-N
XLogP-0.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 4-methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide (CID 89038662) is 4-methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 4-methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 4-methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide is CC1CN(C(C)C)S(=O)(=O)N1.
What is the InChIKey of 4-methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is UHPGQPPNVZZIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-5(2)8-4-6(3)7-11(8,9)10/h5-7H,4H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
4-methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 178.26 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 89038662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).