2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

C13H18N2O3S — CID 82098746

IUPAC2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
SMILESC=CCNS(=O)(=O)c1ccc2c(c1)NCC(CC)O2
InChIInChI=1S/C13H18N2O3S/c1-3-7-15-19(16,17)11-5-6-13-12(8-11)14-9-10(4-2)18-13/h3,5-6,8,10,14-15H,1,4,7,9H2,2H3
InChIKeyYAQHGJSUEPJCNZ-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.73
Rot. Bonds5

About 2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide (PubChem CID 82098746) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
PubChem CID82098746
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
SMILESC=CCNS(=O)(=O)c1ccc2c(c1)NCC(CC)O2
InChIInChI=1S/C13H18N2O3S/c1-3-7-15-19(16,17)11-5-6-13-12(8-11)14-9-10(4-2)18-13/h3,5-6,8,10,14-15H,1,4,7,9H2,2H3
InChIKeyYAQHGJSUEPJCNZ-UHFFFAOYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82098710
2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82355156
2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82355205
2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine
CID 82261139
N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355179
(2S)-6-[[(5R)-3,5-dimethylcyclohexylidene]methyl]-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 144958559
4-methyl-3-oxo-N-prop-2-enyl-1,4-benzoxazine-6-sulfonamide
CID 95969900
2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355158
N,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82355198
2-[[2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]amino]acetic acid
CID 82261894
2-methyl-6-methylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
CID 80503022
2-ethyl-6-(5-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 82059322

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of 2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide (CID 82098746) is 2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for 2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for 2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is C=CCNS(=O)(=O)c1ccc2c(c1)NCC(CC)O2.
What is the InChIKey of 2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is YAQHGJSUEPJCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-7-15-19(16,17)11-5-6-13-12(8-11)14-9-10(4-2)18-13/h3,5-6,8,10,14-15H,1,4,7,9H2,2H3.
What are the key properties of 2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 82098746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).