3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole

C7H13N3O3S — CID 47405494

IUPAC3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CNS(=O)(=O)N(C)C)no1
InChIInChI=1S/C7H13N3O3S/c1-6-4-7(9-13-6)5-8-14(11,12)10(2)3/h4,8H,5H2,1-3H3
InChIKeyQUFUMZUPWOXEAW-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.12
Rot. Bonds4

About 3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole

3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole (PubChem CID 47405494) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole
PubChem CID47405494
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC Name3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CNS(=O)(=O)N(C)C)no1
InChIInChI=1S/C7H13N3O3S/c1-6-4-7(9-13-6)5-8-14(11,12)10(2)3/h4,8H,5H2,1-3H3
InChIKeyQUFUMZUPWOXEAW-UHFFFAOYSA-N
XLogP-0.12
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971
2-methoxy-4,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 110714475
(5-methyl-1,2-oxazol-3-yl)methylhydrazine
CID 66157923
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide
CID 61356856
N,N-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60698204
3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 105358787
N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43133689
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(propylamino)benzenesulfonamide
CID 62159078
3-(aminomethyl)-5-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 82878357
3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 47405544
5-[(dimethylsulfamoylamino)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 110322873
3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene
CID 110780927

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole (CID 47405494) is 3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole is Cc1cc(CNS(=O)(=O)N(C)C)no1.
What is the InChIKey of 3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole?
The InChIKey is QUFUMZUPWOXEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-6-4-7(9-13-6)5-8-14(11,12)10(2)3/h4,8H,5H2,1-3H3.
What are the key properties of 3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole?
3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole has a molecular weight of 219.27 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 47405494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).