N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide

C16H23N3O4S — CID 155496416

IUPACN-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C)CN2C1
InChIInChI=1S/C16H23N3O4S/c1-10-3-4-14(24(17,21)22)6-15(10)16(20)18-12-5-13-9-23-11(2)7-19(13)8-12/h3-4,6,11-13H,5,7-9H2,1-2H3,(H,18,20)(H2,17,21,22)/t11-,12-,13-/m0/s1
InChIKeyHWIZKQRGRYEJPC-AVGNSLFASA-N
MW353.44 g/mol
LogP0.23
Rot. Bonds3

About N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide

N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide (PubChem CID 155496416) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide
PubChem CID155496416
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C)CN2C1
InChIInChI=1S/C16H23N3O4S/c1-10-3-4-14(24(17,21)22)6-15(10)16(20)18-12-5-13-9-23-11(2)7-19(13)8-12/h3-4,6,11-13H,5,7-9H2,1-2H3,(H,18,20)(H2,17,21,22)/t11-,12-,13-/m0/s1
InChIKeyHWIZKQRGRYEJPC-AVGNSLFASA-N
XLogP0.23
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide 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-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,5-dimethylfuran-3-carboxamide
CID 155502422
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-chloro-2-methylbenzamide
CID 155505209
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-methoxy-2-methylbenzamide
CID 155500497
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,5-dimethylbenzamide
CID 155504487
N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-4-carboxamide
CID 154823374
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(2-aminoethoxy)-4-methylbenzamide
CID 154817674
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 155510000
N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]quinoline-4-carboxamide
CID 155498681
3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide
CID 79036562
methyl 4-[(2-methyl-5-sulfamoylbenzoyl)amino]piperidine-1-carboxylate
CID 47072778
4-methyl-3-[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]benzenesulfonamide
CID 124606077
N-[(1S,2R)-2-aminocyclobutyl]-2-methyl-5-sulfamoylbenzamide
CID 56884915

Frequently Asked Questions

What is the IUPAC name of N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide (CID 155496416) is N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C)CN2C1.
What is the InChIKey of N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide?
The InChIKey is HWIZKQRGRYEJPC-AVGNSLFASA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-10-3-4-14(24(17,21)22)6-15(10)16(20)18-12-5-13-9-23-11(2)7-19(13)8-12/h3-4,6,11-13H,5,7-9H2,1-2H3,(H,18,20)(H2,17,21,22)/t11-,12-,13-/m0/s1.
What are the key properties of N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide?
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide has a molecular weight of 353.44 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 155496416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).