3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide

C9H17N3O4S — CID 58995146

IUPAC3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide
SMILESCN1C(=O)N(CCCS(N)(=O)=O)C(C)(C)C1=O
InChIInChI=1S/C9H17N3O4S/c1-9(2)7(13)11(3)8(14)12(9)5-4-6-17(10,15)16/h4-6H2,1-3H3,(H2,10,15,16)
InChIKeyADAQURFJJZTXEP-UHFFFAOYSA-N
MW263.32 g/mol
LogP-0.66
Rot. Bonds4

About 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide

3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide (PubChem CID 58995146) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide
PubChem CID58995146
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC Name3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide
SMILESCN1C(=O)N(CCCS(N)(=O)=O)C(C)(C)C1=O
InChIInChI=1S/C9H17N3O4S/c1-9(2)7(13)11(3)8(14)12(9)5-4-6-17(10,15)16/h4-6H2,1-3H3,(H2,10,15,16)
InChIKeyADAQURFJJZTXEP-UHFFFAOYSA-N
XLogP-0.66
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide?
The IUPAC name of 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide (CID 58995146) is 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide is CN1C(=O)N(CCCS(N)(=O)=O)C(C)(C)C1=O.
What is the InChIKey of 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide?
The InChIKey is ADAQURFJJZTXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c1-9(2)7(13)11(3)8(14)12(9)5-4-6-17(10,15)16/h4-6H2,1-3H3,(H2,10,15,16).
What are the key properties of 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide?
3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide has a molecular weight of 263.32 g/mol, XLogP of -0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 58995146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).