4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide

C18H24N2O4S — CID 94133368

IUPAC4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCO[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C18H24N2O4S/c21-18(20-11-12-24-17-4-2-1-3-16(17)20)13-5-9-15(10-6-13)25(22,23)19-14-7-8-14/h5-6,9-10,14,16-17,19H,1-4,7-8,11-12H2/t16-,17+/m0/s1
InChIKeyXEACRMSVYQEAKZ-DLBZAZTESA-N
MW364.47 g/mol
LogP1.91
Rot. Bonds4

About 4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide

4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide (PubChem CID 94133368) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide
PubChem CID94133368
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCO[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C18H24N2O4S/c21-18(20-11-12-24-17-4-2-1-3-16(17)20)13-5-9-15(10-6-13)25(22,23)19-14-7-8-14/h5-6,9-10,14,16-17,19H,1-4,7-8,11-12H2/t16-,17+/m0/s1
InChIKeyXEACRMSVYQEAKZ-DLBZAZTESA-N
XLogP1.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide 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-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18106374
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[4-(aminomethyl)phenyl]methanone
CID 60947041
4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide
CID 70710461
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-N-cyclobutylbenzenesulfonamide
CID 70770029
[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(4-tert-butylphenyl)methanone
CID 94487129
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(6-bromo-3-pyridinyl)methanone
CID 66462936
N-cycloheptyl-4-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061212
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-N-methoxybenzenesulfonamide
CID 97195759
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(3,5-diaminophenyl)methanone
CID 61108164
4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide
CID 119379774
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-N,N,2-trimethylbenzenesulfonamide
CID 110312395
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methoxy-3-methylsulfonylphenyl)methanone
CID 110633915

Frequently Asked Questions

What is the IUPAC name of 4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide (CID 94133368) is 4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide is O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCO[C@@H]2CCCC[C@@H]21.
What is the InChIKey of 4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide?
The InChIKey is XEACRMSVYQEAKZ-DLBZAZTESA-N. The full InChI is InChI=1S/C18H24N2O4S/c21-18(20-11-12-24-17-4-2-1-3-16(17)20)13-5-9-15(10-6-13)25(22,23)19-14-7-8-14/h5-6,9-10,14,16-17,19H,1-4,7-8,11-12H2/t16-,17+/m0/s1.
What are the key properties of 4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide?
4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 94133368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).