ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate

C11H13N3O6S — CID 18270098

IUPACethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate
SMILESCCOC(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C11H13N3O6S/c1-2-19-11(16)13-14-21(17,18)7-3-4-9-8(5-7)12-10(15)6-20-9/h3-5,14H,2,6H2,1H3,(H,12,15)(H,13,16)
InChIKeySECSXYWYCWMSLL-UHFFFAOYSA-N
MW315.31 g/mol
LogP-0.04
Rot. Bonds4

About ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate

ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate (PubChem CID 18270098) has the molecular formula C11H13N3O6S and a molecular weight of 315.31 g/mol. Its IUPAC name is ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate
PubChem CID18270098
Molecular FormulaC11H13N3O6S
Molecular Weight315.31 g/mol
Exact Mass315.05
IUPAC Nameethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate
SMILESCCOC(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C11H13N3O6S/c1-2-19-11(16)13-14-21(17,18)7-3-4-9-8(5-7)12-10(15)6-20-9/h3-5,14H,2,6H2,1H3,(H,12,15)(H,13,16)
InChIKeySECSXYWYCWMSLL-UHFFFAOYSA-N
XLogP-0.04
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 15943400
ethyl (2S)-4-methylsulfanyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]butanoate
CID 51497479
3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide
CID 18281670
N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide
CID 16615764
4-bromo-1-methyl-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrole-2-carbohydrazide
CID 16615874
N-(2-aminobutyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 63732434
N-[2-(methylamino)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 62658542
N-[3-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 43606655
1-methyl-3-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]urea
CID 46518720
N-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16673059
ethyl 1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-carboxylate
CID 22548275
ethyl (3R)-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-carboxylate
CID 26873741

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate?
The IUPAC name of ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate (CID 18270098) is ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate.
What is the SMILES notation for ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate?
The canonical SMILES for ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate is CCOC(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate?
The InChIKey is SECSXYWYCWMSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6S/c1-2-19-11(16)13-14-21(17,18)7-3-4-9-8(5-7)12-10(15)6-20-9/h3-5,14H,2,6H2,1H3,(H,12,15)(H,13,16).
What are the key properties of ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate?
ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate has a molecular weight of 315.31 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate is sourced from PubChem (CID 18270098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).