2,2-dimethyl-4-[(sulfamoylamino)methyl]-1,3-dioxolane

C6H14N2O4S — CID 11521331

IUPAC2,2-dimethyl-4-[(sulfamoylamino)methyl]-1,3-dioxolane
SMILESCC1(C)OCC(CNS(N)(=O)=O)O1
InChIInChI=1S/C6H14N2O4S/c1-6(2)11-4-5(12-6)3-8-13(7,9)10/h5,8H,3-4H2,1-2H3,(H2,7,9,10)
InChIKeyQEFKDOMMJXOMQV-UHFFFAOYSA-N
MW210.25 g/mol
LogP-1.07
Rot. Bonds3

About 2,2-dimethyl-4-[(sulfamoylamino)methyl]-1,3-dioxolane

2,2-dimethyl-4-[(sulfamoylamino)methyl]-1,3-dioxolane (PubChem CID 11521331) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(sulfamoylamino)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-[(sulfamoylamino)methyl]-1,3-dioxolane
PubChem CID11521331
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name2,2-dimethyl-4-[(sulfamoylamino)methyl]-1,3-dioxolane
SMILESCC1(C)OCC(CNS(N)(=O)=O)O1
InChIInChI=1S/C6H14N2O4S/c1-6(2)11-4-5(12-6)3-8-13(7,9)10/h5,8H,3-4H2,1-2H3,(H2,7,9,10)
InChIKeyQEFKDOMMJXOMQV-UHFFFAOYSA-N
XLogP-1.07
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(sulfamoylamino)methyl]-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-[(sulfamoylamino)methyl]-1,3-dioxolane (CID 11521331) is 2,2-dimethyl-4-[(sulfamoylamino)methyl]-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-[(sulfamoylamino)methyl]-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-[(sulfamoylamino)methyl]-1,3-dioxolane is CC1(C)OCC(CNS(N)(=O)=O)O1.
What is the InChIKey of 2,2-dimethyl-4-[(sulfamoylamino)methyl]-1,3-dioxolane?
The InChIKey is QEFKDOMMJXOMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-6(2)11-4-5(12-6)3-8-13(7,9)10/h5,8H,3-4H2,1-2H3,(H2,7,9,10).
What are the key properties of 2,2-dimethyl-4-[(sulfamoylamino)methyl]-1,3-dioxolane?
2,2-dimethyl-4-[(sulfamoylamino)methyl]-1,3-dioxolane has a molecular weight of 210.25 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(sulfamoylamino)methyl]-1,3-dioxolane is sourced from PubChem (CID 11521331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).