N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide

C17H22N2O2S — CID 52613203

IUPACN-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N/N=C2/C[C@@H]3C=CC[C@H]23)cc1
InChIInChI=1S/C17H22N2O2S/c1-17(2,3)13-7-9-14(10-8-13)22(20,21)19-18-16-11-12-5-4-6-15(12)16/h4-5,7-10,12,15,19H,6,11H2,1-3H3/b18-16-/t12-,15-/m0/s1
InChIKeyRUJXQYGKFDZVAC-DRDQUXLZSA-N
MW318.44 g/mol
LogP3.21
Rot. Bonds3

About N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide

N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide (PubChem CID 52613203) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide
PubChem CID52613203
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N/N=C2/C[C@@H]3C=CC[C@H]23)cc1
InChIInChI=1S/C17H22N2O2S/c1-17(2,3)13-7-9-14(10-8-13)22(20,21)19-18-16-11-12-5-4-6-15(12)16/h4-5,7-10,12,15,19H,6,11H2,1-3H3/b18-16-/t12-,15-/m0/s1
InChIKeyRUJXQYGKFDZVAC-DRDQUXLZSA-N
XLogP3.21
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide 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

4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide
CID 27511993
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-hydroxy-2,2-diphenylacetamide
CID 5043950
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 11929134
4-methyl-N-[(E)-[(1S,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide
CID 124772488
4-methyl-N-[(Z)-[(1R,3R,6S,8S)-4-tricyclo[4.3.1.03,8]decanylidene]amino]benzenesulfonamide
CID 18389547
4-methyl-N-[(Z)-[(1S,2R,6S,7R)-8-tricyclo[5.2.1.02,6]decanylidene]amino]benzenesulfonamide
CID 98405958
N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide
CID 9156049
(1S,5R)-N-propan-2-ylbicyclo[3.2.0]hept-2-en-6-imine
CID 11194424
1-tert-butyl-4-cyclopropylsulfonylbenzene
CID 117031985
N-[(E)-[(1R,2R,4R,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide
CID 99959368
N-[(E)-[(1R,2R,4S,5S)-6-tricyclo[3.2.1.02,4]octanylidene]amino]benzenesulfonamide
CID 124527575
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide
CID 4059323

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide (CID 52613203) is N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)N/N=C2/C[C@@H]3C=CC[C@H]23)cc1.
What is the InChIKey of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide?
The InChIKey is RUJXQYGKFDZVAC-DRDQUXLZSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-17(2,3)13-7-9-14(10-8-13)22(20,21)19-18-16-11-12-5-4-6-15(12)16/h4-5,7-10,12,15,19H,6,11H2,1-3H3/b18-16-/t12-,15-/m0/s1.
What are the key properties of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide?
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 52613203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).