2-[[[butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole

C11H21N3O3S — CID 47359098

IUPAC2-[[[butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCCCCN(C)S(=O)(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C11H21N3O3S/c1-5-6-7-14(4)18(15,16)12-8-11-13-9(2)10(3)17-11/h12H,5-8H2,1-4H3
InChIKeyXTSQONLUWUNJQS-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.36
Rot. Bonds7

About 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole

2-[[[butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 47359098) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[[butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID47359098
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name2-[[[butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCCCCN(C)S(=O)(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C11H21N3O3S/c1-5-6-7-14(4)18(15,16)12-8-11-13-9(2)10(3)17-11/h12H,5-8H2,1-4H3
InChIKeyXTSQONLUWUNJQS-UHFFFAOYSA-N
XLogP1.36
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole (CID 47359098) is 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole is CCCCN(C)S(=O)(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is XTSQONLUWUNJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-5-6-7-14(4)18(15,16)12-8-11-13-9(2)10(3)17-11/h12H,5-8H2,1-4H3.
What are the key properties of 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole?
2-[[[butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 275.37 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[butyl(methyl)sulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 47359098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).