1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane

C12H18N4O3S — CID 110666756

IUPAC1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C12H18N4O3S/c1-15(2)20(18,19)14-10-4-6-11(7-5-10)16-9-3-8-13-12(16)17/h4-7,14H,3,8-9H2,1-2H3,(H,13,17)
InChIKeyQMFQGCQCOLPYGV-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.82
Rot. Bonds4

About 1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane

1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane (PubChem CID 110666756) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane.

Molecular Properties

Compound Name1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane
PubChem CID110666756
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C12H18N4O3S/c1-15(2)20(18,19)14-10-4-6-11(7-5-10)16-9-3-8-13-12(16)17/h4-7,14H,3,8-9H2,1-2H3,(H,13,17)
InChIKeyQMFQGCQCOLPYGV-UHFFFAOYSA-N
XLogP0.82
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane?
The IUPAC name of 1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane (CID 110666756) is 1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane.
What is the SMILES notation for 1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane?
The canonical SMILES for 1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane is CN(C)S(=O)(=O)Nc1ccc(N2CCCNC2=O)cc1.
What is the InChIKey of 1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane?
The InChIKey is QMFQGCQCOLPYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-15(2)20(18,19)14-10-4-6-11(7-5-10)16-9-3-8-13-12(16)17/h4-7,14H,3,8-9H2,1-2H3,(H,13,17).
What are the key properties of 1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane?
1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane has a molecular weight of 298.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane is sourced from PubChem (CID 110666756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).