(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'}

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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).