3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide

C15H19N3O3S — CID 135219919

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide
SMILESC[C@H](NS(=O)CCCn1ccc(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C15H19N3O3S/c1-12(13-6-3-2-4-7-13)17-22(21)11-5-9-18-10-8-14(19)16-15(18)20/h2-4,6-8,10,12,17H,5,9,11H2,1H3,(H,16,19,20)/t12-,22?/m0/s1
InChIKeyWLEKYOSPHXYRGA-BJDAYTSDSA-N
MW321.40 g/mol
LogP0.94
Rot. Bonds7

About 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide

3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide (PubChem CID 135219919) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide
PubChem CID135219919
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide
SMILESC[C@H](NS(=O)CCCn1ccc(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C15H19N3O3S/c1-12(13-6-3-2-4-7-13)17-22(21)11-5-9-18-10-8-14(19)16-15(18)20/h2-4,6-8,10,12,17H,5,9,11H2,1H3,(H,16,19,20)/t12-,22?/m0/s1
InChIKeyWLEKYOSPHXYRGA-BJDAYTSDSA-N
XLogP0.94
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-[(1S)-1-phenylethyl]hydrazinyl]propyl]pyrimidine-2,4-dione
CID 142399923
1-[2-[(3-methyl-2-phenylbutyl)amino]ethyl]pyrimidine-2,4-dione
CID 154769752
1-[3-(1-phenylpropylamino)sulfanylpropyl]pyrimidine-2,4-dione
CID 143904449
3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide
CID 44544654
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
1-[5-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentyl]pyrimidine-2,4-dione
CID 135219931
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632771
1-butylpyrimidine-2,4-dione;methanol;palladium
CID 178051996
3-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]propane-1-sulfonamide
CID 44544760
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
CID 63810428
1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione
CID 62563033

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide (CID 135219919) is 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide is C[C@H](NS(=O)CCCn1ccc(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide?
The InChIKey is WLEKYOSPHXYRGA-BJDAYTSDSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-12(13-6-3-2-4-7-13)17-22(21)11-5-9-18-10-8-14(19)16-15(18)20/h2-4,6-8,10,12,17H,5,9,11H2,1H3,(H,16,19,20)/t12-,22?/m0/s1.
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide has a molecular weight of 321.40 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide is sourced from PubChem (CID 135219919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).