(NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine

C15H21NO3S — CID 40572407

IUPAC(NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine
SMILESCc1ccc(S(=O)(=O)[C@H]2CCCCCC/C2=N/O)cc1
InChIInChI=1S/C15H21NO3S/c1-12-8-10-13(11-9-12)20(18,19)15-7-5-3-2-4-6-14(15)16-17/h8-11,15,17H,2-7H2,1H3/b16-14-/t15-/m0/s1
InChIKeySVJLLJOSQGGSFJ-RIBQPWQFSA-N
MW295.40 g/mol
LogP3.32
Rot. Bonds2

About (NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine

(NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine (PubChem CID 40572407) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is (NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine
PubChem CID40572407
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name(NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine
SMILESCc1ccc(S(=O)(=O)[C@H]2CCCCCC/C2=N/O)cc1
InChIInChI=1S/C15H21NO3S/c1-12-8-10-13(11-9-12)20(18,19)15-7-5-3-2-4-6-14(15)16-17/h8-11,15,17H,2-7H2,1H3/b16-14-/t15-/m0/s1
InChIKeySVJLLJOSQGGSFJ-RIBQPWQFSA-N
XLogP3.32
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine 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)-[(2R)-2-(4-methylphenyl)sulfonylcyclohexylidene]amino]-2,4-dinitroaniline
CID 98528154
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)-[(2S)-2-(2-cyanoethyl)cyclododecylidene]amino]-4-methylbenzenesulfonamide
CID 7195676
trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol
CID 13212964
bis(cyclopentane);bis(4-methylbenzenesulfonic acid);titanium(2+)
CID 23230882
[cyclohexyl-methyl-(2-oxocyclohexyl)-λ4-sulfanyl]-(4-methylphenyl)sulfonyloxidanium
CID 91558095
N-[3-(4-methylphenyl)sulfonyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 4247797
2-(4-methylphenyl)sulfonylpiperidine
CID 117036507
4-methylbenzenesulfonic acid;2-sulfanylcyclohexan-1-one
CID 173079675
sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide
CID 168976257

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine (CID 40572407) is (NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine is Cc1ccc(S(=O)(=O)[C@H]2CCCCCC/C2=N/O)cc1.
What is the InChIKey of (NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine?
The InChIKey is SVJLLJOSQGGSFJ-RIBQPWQFSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-12-8-10-13(11-9-12)20(18,19)15-7-5-3-2-4-6-14(15)16-17/h8-11,15,17H,2-7H2,1H3/b16-14-/t15-/m0/s1.
What are the key properties of (NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine?
(NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine has a molecular weight of 295.40 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine is sourced from PubChem (CID 40572407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).