2-(3-methoxypropylsulfonyl)cyclooctan-1-amine

C12H25NO3S — CID 64673487

IUPAC2-(3-methoxypropylsulfonyl)cyclooctan-1-amine
SMILESCOCCCS(=O)(=O)C1CCCCCCC1N
InChIInChI=1S/C12H25NO3S/c1-16-9-6-10-17(14,15)12-8-5-3-2-4-7-11(12)13/h11-12H,2-10,13H2,1H3
InChIKeyQITVZTPXWIIDSS-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.49
Rot. Bonds5

About 2-(3-methoxypropylsulfonyl)cyclooctan-1-amine

2-(3-methoxypropylsulfonyl)cyclooctan-1-amine (PubChem CID 64673487) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-(3-methoxypropylsulfonyl)cyclooctan-1-amine.

Molecular Properties

Compound Name2-(3-methoxypropylsulfonyl)cyclooctan-1-amine
PubChem CID64673487
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2-(3-methoxypropylsulfonyl)cyclooctan-1-amine
SMILESCOCCCS(=O)(=O)C1CCCCCCC1N
InChIInChI=1S/C12H25NO3S/c1-16-9-6-10-17(14,15)12-8-5-3-2-4-7-11(12)13/h11-12H,2-10,13H2,1H3
InChIKeyQITVZTPXWIIDSS-UHFFFAOYSA-N
XLogP1.49
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylsulfonyl)cyclooctan-1-amine?
The IUPAC name of 2-(3-methoxypropylsulfonyl)cyclooctan-1-amine (CID 64673487) is 2-(3-methoxypropylsulfonyl)cyclooctan-1-amine.
What is the SMILES notation for 2-(3-methoxypropylsulfonyl)cyclooctan-1-amine?
The canonical SMILES for 2-(3-methoxypropylsulfonyl)cyclooctan-1-amine is COCCCS(=O)(=O)C1CCCCCCC1N.
What is the InChIKey of 2-(3-methoxypropylsulfonyl)cyclooctan-1-amine?
The InChIKey is QITVZTPXWIIDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-16-9-6-10-17(14,15)12-8-5-3-2-4-7-11(12)13/h11-12H,2-10,13H2,1H3.
What are the key properties of 2-(3-methoxypropylsulfonyl)cyclooctan-1-amine?
2-(3-methoxypropylsulfonyl)cyclooctan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylsulfonyl)cyclooctan-1-amine is sourced from PubChem (CID 64673487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).