N-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide

C15H22N2O3S — CID 91885680

IUPACN-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide
SMILESCC[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)CCC[C@@H]1O
InChIInChI=1S/C15H22N2O3S/c1-3-13-14(5-4-6-15(13)18)16-17-21(19,20)12-9-7-11(2)8-10-12/h7-10,13,15,17-18H,3-6H2,1-2H3/b16-14+/t13-,15+/m1/s1
InChIKeyLJRFAWHFYRQJAV-PODIUQQRSA-N
MW310.42 g/mol
LogP2.20
Rot. Bonds4

About N-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide

N-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide (PubChem CID 91885680) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide
PubChem CID91885680
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide
SMILESCC[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)CCC[C@@H]1O
InChIInChI=1S/C15H22N2O3S/c1-3-13-14(5-4-6-15(13)18)16-17-21(19,20)12-9-7-11(2)8-10-12/h7-10,13,15,17-18H,3-6H2,1-2H3/b16-14+/t13-,15+/m1/s1
InChIKeyLJRFAWHFYRQJAV-PODIUQQRSA-N
XLogP2.20
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide 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-[(E)-[(1R,7S)-2-bicyclo[5.1.0]octanylidene]amino]-4-methylbenzenesulfonamide
CID 6860198
N-[(E)-[(3S,3aR,9aR)-3-hydroxy-1,2,3,3a,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-4-ylidene]amino]-4-methylbenzenesulfonamide
CID 11013551
N-[(E)-[2-[(dimethylamino)methyl]cyclododecylidene]amino]-4-methylbenzenesulfonamide
CID 5465869
N-[(E)-[(3R,3aR,8aR)-3-hydroxy-3,8,8-trimethyl-2,3a,5,6,7,8a-hexahydro-1H-azulen-4-ylidene]amino]-4-methylbenzenesulfonamide
CID 139095698
N-[(E)-[(2S)-2-(2-cyanoethyl)cyclododecylidene]amino]-4-methylbenzenesulfonamide
CID 7195676
N-[(E)-[(2R,3S)-3-hydroxy-3-methyl-2-prop-1-ynylcyclohexylidene]amino]-4-methylbenzenesulfonamide
CID 91885654
N-[(E)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]amino]-4-methylbenzenesulfonamide
CID 98513345
N-[(Z)-[(3S,5S,8S,9S,10S,13R,14R)-3-hydroxy-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydrocyclopenta[a]phenanthren-17-ylidene]amino]-4-methylbenzenesulfonamide
CID 11886977
N-[(2,9-dioxo-3,3a,5,6,7,8,11,11a-octahydrofuro[2,3-c]oxecin-4-ylidene)amino]-4-methylbenzenesulfonamide
CID 146019904
N-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
CID 5465867
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
CID 5468231
4-methyl-N-[(Z)-[(1S,2R,6S,7R)-8-tricyclo[5.2.1.02,6]decanylidene]amino]benzenesulfonamide
CID 98405958

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide (CID 91885680) is N-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide is CC[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)CCC[C@@H]1O.
What is the InChIKey of N-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide?
The InChIKey is LJRFAWHFYRQJAV-PODIUQQRSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-13-14(5-4-6-15(13)18)16-17-21(19,20)12-9-7-11(2)8-10-12/h7-10,13,15,17-18H,3-6H2,1-2H3/b16-14+/t13-,15+/m1/s1.
What are the key properties of N-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide?
N-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2R,3S)-2-ethyl-3-hydroxycyclohexylidene]amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 91885680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).