N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C11H15N3O4S — CID 63731478

IUPACN-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCC(N)CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C11H15N3O4S/c1-7(12)6-13-19(16,17)8-3-4-9-10(5-8)18-11(15)14(9)2/h3-5,7,13H,6,12H2,1-2H3
InChIKeySFSJXDRFHYFHPR-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.24
Rot. Bonds4

About N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 63731478) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID63731478
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC NameN-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCC(N)CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C11H15N3O4S/c1-7(12)6-13-19(16,17)8-3-4-9-10(5-8)18-11(15)14(9)2/h3-5,7,13H,6,12H2,1-2H3
InChIKeySFSJXDRFHYFHPR-UHFFFAOYSA-N
XLogP-0.24
TPSA107.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminobutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63730962
N-(2,3-dihydroxypropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 66176261
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110402939
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
N-(2-amino-2-ethylbutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 119989748
3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648175
N-[2-(tert-butylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 56806975
N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 119983081
N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345198
N-(5-hydroxypentyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 107319361
3-methyl-N-(oxan-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110736456
N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 119983080

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 63731478) is N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is CC(N)CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is SFSJXDRFHYFHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-7(12)6-13-19(16,17)8-3-4-9-10(5-8)18-11(15)14(9)2/h3-5,7,13H,6,12H2,1-2H3.
What are the key properties of N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 285.32 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 63731478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).