5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione

C11H17N3O5S — CID 103871485

IUPAC5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(S(=O)(=O)N2CCC(C)(O)C2)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O5S/c1-11(17)4-5-14(7-11)20(18,19)8-6-12(2)10(16)13(3)9(8)15/h6,17H,4-5,7H2,1-3H3
InChIKeySVBFGJDLZQTAPN-UHFFFAOYSA-N
MW303.34 g/mol
LogP-1.77
Rot. Bonds2

About 5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione

5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 103871485) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID103871485
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(S(=O)(=O)N2CCC(C)(O)C2)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O5S/c1-11(17)4-5-14(7-11)20(18,19)8-6-12(2)10(16)13(3)9(8)15/h6,17H,4-5,7H2,1-3H3
InChIKeySVBFGJDLZQTAPN-UHFFFAOYSA-N
XLogP-1.77
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-1.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 120777245
1,3-dimethyl-5-[(5-oxo-1,4-diazepan-1-yl)sulfonyl]pyrimidine-2,4-dione
CID 60703229
5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 63765075
1-(2,4-dibromophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871444
2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylazetidin-3-yl]acetic acid
CID 64618231
1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871460
1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871378
5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 135114079
5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 43574515
5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 43063031
3-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-4-methoxybenzoic acid
CID 103355689
2-fluoro-6-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 103871431

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione (CID 103871485) is 5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(S(=O)(=O)N2CCC(C)(O)C2)c(=O)n(C)c1=O.
What is the InChIKey of 5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is SVBFGJDLZQTAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-11(17)4-5-14(7-11)20(18,19)8-6-12(2)10(16)13(3)9(8)15/h6,17H,4-5,7H2,1-3H3.
What are the key properties of 5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 303.34 g/mol, XLogP of -1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 103871485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).