2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

C16H21N3O6S — CID 171138562

IUPAC2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NCC(=O)N1CCOCC1)OC(C)C(=O)N2
InChIInChI=1S/C16H21N3O6S/c1-10-7-12-13(25-11(2)16(21)18-12)8-14(10)26(22,23)17-9-15(20)19-3-5-24-6-4-19/h7-8,11,17H,3-6,9H2,1-2H3,(H,18,21)
InChIKeyCMKKHIPJOPBAOF-UHFFFAOYSA-N
MW383.43 g/mol
LogP-0.15
Rot. Bonds4

About 2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 171138562) has the molecular formula C16H21N3O6S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID171138562
Molecular FormulaC16H21N3O6S
Molecular Weight383.43 g/mol
Exact Mass383.12
IUPAC Name2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NCC(=O)N1CCOCC1)OC(C)C(=O)N2
InChIInChI=1S/C16H21N3O6S/c1-10-7-12-13(25-11(2)16(21)18-12)8-14(10)26(22,23)17-9-15(20)19-3-5-24-6-4-19/h7-8,11,17H,3-6,9H2,1-2H3,(H,18,21)
InChIKeyCMKKHIPJOPBAOF-UHFFFAOYSA-N
XLogP-0.15
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2,6-dimethyl-3-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazine-7-sulfonamide
CID 171133646
(2S)-2-methyl-3-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 100831044
(2R)-N,2,6-trimethyl-3-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazine-7-sulfonamide
CID 93060899
(2S)-N,2,6-trimethyl-3-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazine-7-sulfonamide
CID 93060900
4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712416
1-[[(2S)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl]sulfonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 92866022
N-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 132767171
(2R)-2,6-dimethyl-7-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 95067273
(2R)-7-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]sulfonyl-2,6-dimethyl-4H-1,4-benzoxazin-3-one
CID 95067246
(2S)-2,6-dimethyl-7-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 92866036
(2R)-2,6-dimethyl-7-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 92866037
1-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 46288883

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of 2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (CID 171138562) is 2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for 2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for 2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is Cc1cc2c(cc1S(=O)(=O)NCC(=O)N1CCOCC1)OC(C)C(=O)N2.
What is the InChIKey of 2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is CMKKHIPJOPBAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6S/c1-10-7-12-13(25-11(2)16(21)18-12)8-14(10)26(22,23)17-9-15(20)19-3-5-24-6-4-19/h7-8,11,17H,3-6,9H2,1-2H3,(H,18,21).
What are the key properties of 2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 383.43 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 171138562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).