(NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide

C15H20N2O3S — CID 139038854

IUPAC(NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2\OC[C@H]3CC(C)(C)CN23)cc1
InChIInChI=1S/C15H20N2O3S/c1-11-4-6-13(7-5-11)21(18,19)16-14-17-10-15(2,3)8-12(17)9-20-14/h4-7,12H,8-10H2,1-3H3/b16-14-/t12-/m1/s1
InChIKeyZZSKNECDNIHRRV-HRZQKCLFSA-N
MW308.40 g/mol
LogP2.17
Rot. Bonds2

About (NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide

(NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide (PubChem CID 139038854) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is (NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide
PubChem CID139038854
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name(NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2\OC[C@H]3CC(C)(C)CN23)cc1
InChIInChI=1S/C15H20N2O3S/c1-11-4-6-13(7-5-11)21(18,19)16-14-17-10-15(2,3)8-12(17)9-20-14/h4-7,12H,8-10H2,1-3H3/b16-14-/t12-/m1/s1
InChIKeyZZSKNECDNIHRRV-HRZQKCLFSA-N
XLogP2.17
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

(NZ)-N-(6,6,7a-trimethyl-5,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene)-4-methylbenzenesulfonamide
CID 135063723
(NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide
CID 6144298
(NZ)-4-methyl-N-[(2'S,4R)-2'-phenylspiro[1H-isochromene-4,1'-cyclopropane]-3-ylidene]benzenesulfonamide
CID 139095496
5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 52950936
6,6-dimethyl-2-(4-methylphenyl)sulfonyl-5,7,8,8a-tetrahydro-1H-imidazo[1,5-a]pyridin-3-one
CID 101373592
2-(4-chlorophenyl)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 122375223
(2S,3S)-2-(hydroxymethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 10685556
4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide
CID 3022075
[(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 99999694
(NE)-4-methyl-N-(1-propan-2-ylazepan-2-ylidene)benzenesulfonamide
CID 162651850
(NE)-N-(6,7-dimethyl-4-oxo-4a,5,8,8a-tetrahydronaphthalen-1-ylidene)-4-methylbenzenesulfonamide
CID 135018497
acetic acid;2-methanidyl-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine;palladium
CID 135032555

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide (CID 139038854) is (NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C2\OC[C@H]3CC(C)(C)CN23)cc1.
What is the InChIKey of (NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide?
The InChIKey is ZZSKNECDNIHRRV-HRZQKCLFSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11-4-6-13(7-5-11)21(18,19)16-14-17-10-15(2,3)8-12(17)9-20-14/h4-7,12H,8-10H2,1-3H3/b16-14-/t12-/m1/s1.
What are the key properties of (NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 139038854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).