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

C7H13N3O3S — CID 48944715

IUPAC5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CNS(=O)(=O)N(C)C)on1
InChIInChI=1S/C7H13N3O3S/c1-6-4-7(13-9-6)5-8-14(11,12)10(2)3/h4,8H,5H2,1-3H3
InChIKeyXDERNXHMISDZNV-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.12
Rot. Bonds4

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

5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole (PubChem CID 48944715) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole
PubChem CID48944715
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC Name5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CNS(=O)(=O)N(C)C)on1
InChIInChI=1S/C7H13N3O3S/c1-6-4-7(13-9-6)5-8-14(11,12)10(2)3/h4,8H,5H2,1-3H3
InChIKeyXDERNXHMISDZNV-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

3-[(dimethylsulfamoylamino)methyl]-5-methyl-1,2-oxazole
CID 47405494
2,6-dimethyl-4-(methylamino)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 107328831
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 71979583
3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 79888991
3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
CID 48944709
5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64608033
N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
CID 48944724
N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 82594380
2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 64897437
5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 102919819
2-fluoro-4-(methylaminomethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 79179657
4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 102748617

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole (CID 48944715) is 5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole is Cc1cc(CNS(=O)(=O)N(C)C)on1.
What is the InChIKey of 5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole?
The InChIKey is XDERNXHMISDZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-6-4-7(13-9-6)5-8-14(11,12)10(2)3/h4,8H,5H2,1-3H3.
What are the key properties of 5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole?
5-[(dimethylsulfamoylamino)methyl]-3-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 5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 48944715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).