N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide

C18H26N2O2S — CID 98299925

IUPACN-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N/N=C(/C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C18H26N2O2S/c1-3-4-14-6-9-17(10-7-14)23(21,22)20-19-13(2)18-12-15-5-8-16(18)11-15/h6-7,9-10,15-16,18,20H,3-5,8,11-12H2,1-2H3/b19-13-/t15-,16-,18+/m1/s1
InChIKeyHTVCQQBVBMJBTE-NXOLRHJFSA-N
MW334.49 g/mol
LogP3.73
Rot. Bonds6

About N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide

N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide (PubChem CID 98299925) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide
PubChem CID98299925
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N/N=C(/C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C18H26N2O2S/c1-3-4-14-6-9-17(10-7-14)23(21,22)20-19-13(2)18-12-15-5-8-16(18)11-15/h6-7,9-10,15-16,18,20H,3-5,8,11-12H2,1-2H3/b19-13-/t15-,16-,18+/m1/s1
InChIKeyHTVCQQBVBMJBTE-NXOLRHJFSA-N
XLogP3.73
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide 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-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 129440050
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 7308856
(1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7102723
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]butanediamide
CID 3254874
N-iodo-4-propylbenzenesulfonamide
CID 143564822
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
ethyl N-[(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]carbamate
CID 7112571
N-[(Z)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-4-propylbenzenesulfonamide
CID 135958144
N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-4-propylbenzenesulfonamide
CID 135647841
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-hydroxybenzamide
CID 98659475
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-nitrobenzamide
CID 98743453
N-[(Z)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3-bromobenzamide
CID 11895622

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide?
The IUPAC name of N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide (CID 98299925) is N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N/N=C(/C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1.
What is the InChIKey of N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide?
The InChIKey is HTVCQQBVBMJBTE-NXOLRHJFSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-3-4-14-6-9-17(10-7-14)23(21,22)20-19-13(2)18-12-15-5-8-16(18)11-15/h6-7,9-10,15-16,18,20H,3-5,8,11-12H2,1-2H3/b19-13-/t15-,16-,18+/m1/s1.
What are the key properties of N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide?
N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide has a molecular weight of 334.49 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-propylbenzenesulfonamide is sourced from PubChem (CID 98299925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).