2-[(dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole

C8H15N3O3S — CID 47359093

IUPAC2-[(dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CNS(=O)(=O)N(C)C)oc1C
InChIInChI=1S/C8H15N3O3S/c1-6-7(2)14-8(10-6)5-9-15(12,13)11(3)4/h9H,5H2,1-4H3
InChIKeyTVFZFTHDOMDATB-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.19
Rot. Bonds4

About 2-[(dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole

2-[(dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 47359093) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[(dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID47359093
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-[(dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CNS(=O)(=O)N(C)C)oc1C
InChIInChI=1S/C8H15N3O3S/c1-6-7(2)14-8(10-6)5-9-15(12,13)11(3)4/h9H,5H2,1-4H3
InChIKeyTVFZFTHDOMDATB-UHFFFAOYSA-N
XLogP0.19
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Aminomethyl)-2,5-dimethyl-1,3-oxazole
CID 16658924
(4,5-Dimethyl-1,3-Oxazol-2-Yl)Methanamine
CID 28293489
(Dimethyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 118991322
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea
CID 47360467
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 47360646
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea
CID 47361631
4-[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 53523628
4,5-Dimethyl-2-[(4-piperidin-1-ylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
CID 53577576
(2-Ethyl-4-methyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 119031976
(Dimethyl-1,3-oxazol-2-yl)methanamine dihydrochloride
CID 137838497
1-[(Dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane
CID 53532524
(2,4-Dimethyloxazol-5-yl)methanamine
CID 22343507

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[(dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole (CID 47359093) is 2-[(dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[(dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[(dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(CNS(=O)(=O)N(C)C)oc1C.
What is the InChIKey of 2-[(dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is TVFZFTHDOMDATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-6-7(2)14-8(10-6)5-9-15(12,13)11(3)4/h9H,5H2,1-4H3.
What are the key properties of 2-[(dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole?
2-[(dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 233.29 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylsulfamoylamino)methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 47359093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).