2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide

C8H16N2O3S — CID 61356533

IUPAC2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide
SMILESNS(=O)(=O)N1CCOC2CCCCC21
InChIInChI=1S/C8H16N2O3S/c9-14(11,12)10-5-6-13-8-4-2-1-3-7(8)10/h7-8H,1-6H2,(H2,9,11,12)
InChIKeyUSMXLOBCBTXJGU-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.17
Rot. Bonds1

About 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide (PubChem CID 61356533) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide.

Molecular Properties

Compound Name2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide
PubChem CID61356533
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide
SMILESNS(=O)(=O)N1CCOC2CCCCC21
InChIInChI=1S/C8H16N2O3S/c9-14(11,12)10-5-6-13-8-4-2-1-3-7(8)10/h7-8H,1-6H2,(H2,9,11,12)
InChIKeyUSMXLOBCBTXJGU-UHFFFAOYSA-N
XLogP-0.17
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide?
The IUPAC name of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide (CID 61356533) is 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide.
What is the SMILES notation for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide?
The canonical SMILES for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide is NS(=O)(=O)N1CCOC2CCCCC21.
What is the InChIKey of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide?
The InChIKey is USMXLOBCBTXJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c9-14(11,12)10-5-6-13-8-4-2-1-3-7(8)10/h7-8H,1-6H2,(H2,9,11,12).
What are the key properties of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide?
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide has a molecular weight of 220.29 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide is sourced from PubChem (CID 61356533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).