6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine

C15H23N3O4S — CID 34144272

IUPAC6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine
SMILESCCCCN(C)S(=O)(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C15H23N3O4S/c1-4-5-8-18(3)23(20,21)17-11(2)12-6-7-14-13(9-12)16-15(19)10-22-14/h6-7,9,11,17H,4-5,8,10H2,1-3H3,(H,16,19)/t11-/m1/s1
InChIKeyNNSXXEZVPJXNPX-LLVKDONJSA-N
MW341.43 g/mol
LogP1.64
Rot. Bonds7

About 6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine

6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine (PubChem CID 34144272) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine.

Molecular Properties

Compound Name6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine
PubChem CID34144272
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine
SMILESCCCCN(C)S(=O)(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C15H23N3O4S/c1-4-5-8-18(3)23(20,21)17-11(2)12-6-7-14-13(9-12)16-15(19)10-22-14/h6-7,9,11,17H,4-5,8,10H2,1-3H3,(H,16,19)/t11-/m1/s1
InChIKeyNNSXXEZVPJXNPX-LLVKDONJSA-N
XLogP1.64
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine with MolForge

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Related Compounds

N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548269
N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide
CID 34145619
6-[1-(propylamino)pentyl]-4H-1,4-benzoxazin-3-one
CID 43497611
6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one
CID 43492901
6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one
CID 43497613
6-[1-(methylamino)heptyl]-4H-1,4-benzoxazin-3-one
CID 114752368
6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 43492904
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]acetic acid
CID 43135032
6-(1-chlorooctyl)-4H-1,4-benzoxazin-3-one
CID 63436729
6-[1-[(2-methoxy-2-methylpropyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 104759503
N-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide
CID 43574158
1-methyl-1-(4-methylpentan-2-yl)-3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 71892905

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine?
The IUPAC name of 6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine (CID 34144272) is 6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine.
What is the SMILES notation for 6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine?
The canonical SMILES for 6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine is CCCCN(C)S(=O)(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine?
The InChIKey is NNSXXEZVPJXNPX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-4-5-8-18(3)23(20,21)17-11(2)12-6-7-14-13(9-12)16-15(19)10-22-14/h6-7,9,11,17H,4-5,8,10H2,1-3H3,(H,16,19)/t11-/m1/s1.
What are the key properties of 6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine?
6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine has a molecular weight of 341.43 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-[[butyl(methyl)sulfamoyl]amino]ethyl]-3-oxo-4H-1,4-benzoxazine is sourced from PubChem (CID 34144272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).