1-cyclopropylsulfonyl-3-methylimidazolidin-4-one

C7H12N2O3S — CID 126809562

IUPAC1-cyclopropylsulfonyl-3-methylimidazolidin-4-one
SMILESCN1CN(S(=O)(=O)C2CC2)CC1=O
InChIInChI=1S/C7H12N2O3S/c1-8-5-9(4-7(8)10)13(11,12)6-2-3-6/h6H,2-5H2,1H3
InChIKeyZHAPNKKPRFKRSL-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.79
Rot. Bonds2

About 1-cyclopropylsulfonyl-3-methylimidazolidin-4-one

1-cyclopropylsulfonyl-3-methylimidazolidin-4-one (PubChem CID 126809562) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-3-methylimidazolidin-4-one
PubChem CID126809562
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name1-cyclopropylsulfonyl-3-methylimidazolidin-4-one
SMILESCN1CN(S(=O)(=O)C2CC2)CC1=O
InChIInChI=1S/C7H12N2O3S/c1-8-5-9(4-7(8)10)13(11,12)6-2-3-6/h6H,2-5H2,1H3
InChIKeyZHAPNKKPRFKRSL-UHFFFAOYSA-N
XLogP-0.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
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N-[4-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylphenyl]acetamide
CID 75401190
5-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylfuran-2-carbonitrile
CID 136542493
2-cyclopropylsulfonyl-1,3-dihydroisoindole
CID 122244979
(6S)-8-cyclopropylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97373251
1-cyclopropylsulfonyl-4-methylsulfonylpiperidine
CID 71805701
4-(2-aminocyclohexyl)-1-methyl-1,4-diazepan-2-one
CID 102891888
4-(oxan-4-ylsulfonyl)-1,4-diazepan-2-one
CID 63239190
4-tert-butyl-1-cyclopropylsulfonylpiperidine
CID 59732265
1-methyl-4-(1-methylpiperidin-4-yl)piperazin-2-one
CID 21050526

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-3-methylimidazolidin-4-one?
The IUPAC name of 1-cyclopropylsulfonyl-3-methylimidazolidin-4-one (CID 126809562) is 1-cyclopropylsulfonyl-3-methylimidazolidin-4-one.
What is the SMILES notation for 1-cyclopropylsulfonyl-3-methylimidazolidin-4-one?
The canonical SMILES for 1-cyclopropylsulfonyl-3-methylimidazolidin-4-one is CN1CN(S(=O)(=O)C2CC2)CC1=O.
What is the InChIKey of 1-cyclopropylsulfonyl-3-methylimidazolidin-4-one?
The InChIKey is ZHAPNKKPRFKRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-8-5-9(4-7(8)10)13(11,12)6-2-3-6/h6H,2-5H2,1H3.
What are the key properties of 1-cyclopropylsulfonyl-3-methylimidazolidin-4-one?
1-cyclopropylsulfonyl-3-methylimidazolidin-4-one has a molecular weight of 204.25 g/mol, XLogP of -0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-3-methylimidazolidin-4-one is sourced from PubChem (CID 126809562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).