3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C9H15N3O4S — CID 110343455

IUPAC3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCS(=O)(=O)N(C)C)no1
InChIInChI=1S/C9H15N3O4S/c1-7-6-8(11-16-7)10-9(13)4-5-17(14,15)12(2)3/h6H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyHMISCYWEDHXKPH-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.20
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 110343455) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID110343455
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCS(=O)(=O)N(C)C)no1
InChIInChI=1S/C9H15N3O4S/c1-7-6-8(11-16-7)10-9(13)4-5-17(14,15)12(2)3/h6H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyHMISCYWEDHXKPH-UHFFFAOYSA-N
XLogP0.20
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
CID 47035216
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 63645461
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 2777055
3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370392
2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4549592
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110619289
2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid
CID 55007447
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113142554
2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 43465797
3-acetamido-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 110614580
3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17225907

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 110343455) is 3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCS(=O)(=O)N(C)C)no1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is HMISCYWEDHXKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-7-6-8(11-16-7)10-9(13)4-5-17(14,15)12(2)3/h6H,4-5H2,1-3H3,(H,10,11,13).
What are the key properties of 3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 261.30 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 110343455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).