2-(benzenesulfonyl)-N-methylcyclooctan-1-amine

C15H23NO2S — CID 62917384

IUPAC2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
SMILESCNC1CCCCCCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H23NO2S/c1-16-14-11-7-2-3-8-12-15(14)19(17,18)13-9-5-4-6-10-13/h4-6,9-10,14-16H,2-3,7-8,11-12H2,1H3
InChIKeyGSZZWSLPHASBKI-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.77
Rot. Bonds3

About 2-(benzenesulfonyl)-N-methylcyclooctan-1-amine

2-(benzenesulfonyl)-N-methylcyclooctan-1-amine (PubChem CID 62917384) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-methylcyclooctan-1-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
PubChem CID62917384
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
SMILESCNC1CCCCCCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H23NO2S/c1-16-14-11-7-2-3-8-12-15(14)19(17,18)13-9-5-4-6-10-13/h4-6,9-10,14-16H,2-3,7-8,11-12H2,1H3
InChIKeyGSZZWSLPHASBKI-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-methylcyclooctan-1-amine?
The IUPAC name of 2-(benzenesulfonyl)-N-methylcyclooctan-1-amine (CID 62917384) is 2-(benzenesulfonyl)-N-methylcyclooctan-1-amine.
What is the SMILES notation for 2-(benzenesulfonyl)-N-methylcyclooctan-1-amine?
The canonical SMILES for 2-(benzenesulfonyl)-N-methylcyclooctan-1-amine is CNC1CCCCCCC1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-methylcyclooctan-1-amine?
The InChIKey is GSZZWSLPHASBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-16-14-11-7-2-3-8-12-15(14)19(17,18)13-9-5-4-6-10-13/h4-6,9-10,14-16H,2-3,7-8,11-12H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-N-methylcyclooctan-1-amine?
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-methylcyclooctan-1-amine is sourced from PubChem (CID 62917384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).