5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole

C12H17N3O4S — CID 110792287

IUPAC5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole
SMILESCN(C)S(=O)(=O)NCCc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C12H17N3O4S/c1-14(2)20(17,18)13-7-6-9-4-5-11-10(8-9)15(3)12(16)19-11/h4-5,8,13H,6-7H2,1-3H3
InChIKeyMIBCKGVJVAVLQK-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.07
Rot. Bonds5

About 5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole

5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole (PubChem CID 110792287) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole.

Molecular Properties

Compound Name5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole
PubChem CID110792287
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole
SMILESCN(C)S(=O)(=O)NCCc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C12H17N3O4S/c1-14(2)20(17,18)13-7-6-9-4-5-11-10(8-9)15(3)12(16)19-11/h4-5,8,13H,6-7H2,1-3H3
InChIKeyMIBCKGVJVAVLQK-UHFFFAOYSA-N
XLogP0.07
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[2-(methylaminomethylamino)ethyl]-1,3-benzoxazol-2-one
CID 115227229
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide
CID 110786920
1-amino-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]urea
CID 115192957
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea
CID 110776303
methyl-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]cyanamide
CID 117043553
5-(3-chloropropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116926676
3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoic acid
CID 82494222
(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium
CID 143272906
3-methyl-5-[[methyl(methylaminomethyl)amino]methyl]-1,3-benzoxazol-2-one
CID 115227065
3-methyl-5-[[methyl-[3-(methylamino)propyl]amino]methyl]-1,3-benzoxazol-2-one
CID 115197940
6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine
CID 110790116
5-[[bromomethyl(methyl)amino]methyl]-3-methyl-1,3-benzoxazol-2-one
CID 115262110

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole?
The IUPAC name of 5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole (CID 110792287) is 5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole.
What is the SMILES notation for 5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole?
The canonical SMILES for 5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole is CN(C)S(=O)(=O)NCCc1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of 5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole?
The InChIKey is MIBCKGVJVAVLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-14(2)20(17,18)13-7-6-9-4-5-11-10(8-9)15(3)12(16)19-11/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole?
5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole has a molecular weight of 299.35 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole is sourced from PubChem (CID 110792287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).