2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide

C13H22N4O3S2 — CID 118784213

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide
SMILESCc1cc(C)nc(SC(C)C(=O)NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C13H22N4O3S2/c1-9-8-10(2)16-13(15-9)21-11(3)12(18)14-6-7-22(19,20)17(4)5/h8,11H,6-7H2,1-5H3,(H,14,18)
InChIKeyDEEGLAYGGLGRIZ-UHFFFAOYSA-N
MW346.48 g/mol
LogP0.58
Rot. Bonds7

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide (PubChem CID 118784213) has the molecular formula C13H22N4O3S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide
PubChem CID118784213
Molecular FormulaC13H22N4O3S2
Molecular Weight346.48 g/mol
Exact Mass346.11
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide
SMILESCc1cc(C)nc(SC(C)C(=O)NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C13H22N4O3S2/c1-9-8-10(2)16-13(15-9)21-11(3)12(18)14-6-7-22(19,20)17(4)5/h8,11H,6-7H2,1-5H3,(H,14,18)
InChIKeyDEEGLAYGGLGRIZ-UHFFFAOYSA-N
XLogP0.58
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide
CID 118767272
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide
CID 118766874
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide
CID 47145388
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 976741
(2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide
CID 96510593
(2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 975208
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 23743258
(2S)-N-(4-bromophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 1132604
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106335483
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide
CID 60665444
N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 60718365
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide
CID 37060825

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide (CID 118784213) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide is Cc1cc(C)nc(SC(C)C(=O)NCCS(=O)(=O)N(C)C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
The InChIKey is DEEGLAYGGLGRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S2/c1-9-8-10(2)16-13(15-9)21-11(3)12(18)14-6-7-22(19,20)17(4)5/h8,11H,6-7H2,1-5H3,(H,14,18).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide has a molecular weight of 346.48 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide is sourced from PubChem (CID 118784213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).