(4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl fluoride

C5H7FN2O4S — CID 165459788

IUPAC(4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl fluoride
SMILESCC1(CS(=O)(=O)F)NC(=O)NC1=O
InChIInChI=1S/C5H7FN2O4S/c1-5(2-13(6,11)12)3(9)7-4(10)8-5/h2H2,1H3,(H2,7,8,9,10)
InChIKeyBTBKBQIVBAZKAU-UHFFFAOYSA-N
MW210.19 g/mol
LogP-1.12
Rot. Bonds2

About (4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl fluoride

(4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl fluoride (PubChem CID 165459788) has the molecular formula C5H7FN2O4S and a molecular weight of 210.19 g/mol. Its IUPAC name is (4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl fluoride
PubChem CID165459788
Molecular FormulaC5H7FN2O4S
Molecular Weight210.19 g/mol
Exact Mass210.01
IUPAC Name(4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl fluoride
SMILESCC1(CS(=O)(=O)F)NC(=O)NC1=O
InChIInChI=1S/C5H7FN2O4S/c1-5(2-13(6,11)12)3(9)7-4(10)8-5/h2H2,1H3,(H2,7,8,9,10)
InChIKeyBTBKBQIVBAZKAU-UHFFFAOYSA-N
XLogP-1.12
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
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 (4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl fluoride?
The IUPAC name of (4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl fluoride (CID 165459788) is (4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl fluoride.
What is the SMILES notation for (4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl fluoride?
The canonical SMILES for (4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl fluoride is CC1(CS(=O)(=O)F)NC(=O)NC1=O.
What is the InChIKey of (4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl fluoride?
The InChIKey is BTBKBQIVBAZKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O4S/c1-5(2-13(6,11)12)3(9)7-4(10)8-5/h2H2,1H3,(H2,7,8,9,10).
What are the key properties of (4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl fluoride?
(4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl fluoride has a molecular weight of 210.19 g/mol, XLogP of -1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonyl fluoride is sourced from PubChem (CID 165459788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).