6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione

C14H15N3O4S — CID 6624083

IUPAC6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1c2ccccc2CC1C
InChIInChI=1S/C14H15N3O4S/c1-8-7-10-5-3-4-6-11(10)17(8)22(20,21)12-9(2)15-14(19)16-13(12)18/h3-6,8H,7H2,1-2H3,(H2,15,16,18,19)
InChIKeyFLEXLSPPKFDQAU-UHFFFAOYSA-N
MW321.36 g/mol
LogP0.51
Rot. Bonds2

About 6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione (PubChem CID 6624083) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione
PubChem CID6624083
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1c2ccccc2CC1C
InChIInChI=1S/C14H15N3O4S/c1-8-7-10-5-3-4-6-11(10)17(8)22(20,21)12-9(2)15-14(19)16-13(12)18/h3-6,8H,7H2,1-2H3,(H2,15,16,18,19)
InChIKeyFLEXLSPPKFDQAU-UHFFFAOYSA-N
XLogP0.51
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 42994759
3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 43452427
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 6624044
(2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole
CID 27332586
2-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 2943362
6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one
CID 92683798
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411
(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 8511937
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
CID 22521113
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
[2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]hydrazine
CID 43454884
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione (CID 6624083) is 6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1c2ccccc2CC1C.
What is the InChIKey of 6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is FLEXLSPPKFDQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-8-7-10-5-3-4-6-11(10)17(8)22(20,21)12-9(2)15-14(19)16-13(12)18/h3-6,8H,7H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 321.36 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 6624083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).