N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine

C11H14N2O3S — CID 116853402

IUPACN-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine
SMILESCNCCS(=O)(=O)c1ccc2oc(C)nc2c1
InChIInChI=1S/C11H14N2O3S/c1-8-13-10-7-9(3-4-11(10)16-8)17(14,15)6-5-12-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyOCDGHLKWJZOXLA-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.13
Rot. Bonds4

About N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine

N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine (PubChem CID 116853402) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine
PubChem CID116853402
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine
SMILESCNCCS(=O)(=O)c1ccc2oc(C)nc2c1
InChIInChI=1S/C11H14N2O3S/c1-8-13-10-7-9(3-4-11(10)16-8)17(14,15)6-5-12-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyOCDGHLKWJZOXLA-UHFFFAOYSA-N
XLogP1.13
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-amine
CID 116853340
N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 83537343
2-methyl-1,3-benzoxazole-5-sulfonamide
CID 43173624
2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
CID 64640024
N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760529
2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine
CID 116855218
3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol
CID 116853227
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760604
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide
CID 110760524
2-methyl-5-pyrrolidin-1-ylsulfonyl-1,3-benzoxazole
CID 110760491
N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760583
2-chloro-5-ethylsulfonyl-1,3-benzoxazole
CID 58906316

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine?
The IUPAC name of N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine (CID 116853402) is N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine.
What is the SMILES notation for N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine?
The canonical SMILES for N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine is CNCCS(=O)(=O)c1ccc2oc(C)nc2c1.
What is the InChIKey of N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine?
The InChIKey is OCDGHLKWJZOXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-8-13-10-7-9(3-4-11(10)16-8)17(14,15)6-5-12-2/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine?
N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine has a molecular weight of 254.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine is sourced from PubChem (CID 116853402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).