2-(2-methylbutylsulfonyl)cyclooctan-1-amine

C13H27NO2S — CID 107759605

IUPAC2-(2-methylbutylsulfonyl)cyclooctan-1-amine
SMILESCCC(C)CS(=O)(=O)C1CCCCCCC1N
InChIInChI=1S/C13H27NO2S/c1-3-11(2)10-17(15,16)13-9-7-5-4-6-8-12(13)14/h11-13H,3-10,14H2,1-2H3
InChIKeyLWFCGJFIWGZERG-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.50
Rot. Bonds4

About 2-(2-methylbutylsulfonyl)cyclooctan-1-amine

2-(2-methylbutylsulfonyl)cyclooctan-1-amine (PubChem CID 107759605) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-(2-methylbutylsulfonyl)cyclooctan-1-amine.

Molecular Properties

Compound Name2-(2-methylbutylsulfonyl)cyclooctan-1-amine
PubChem CID107759605
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name2-(2-methylbutylsulfonyl)cyclooctan-1-amine
SMILESCCC(C)CS(=O)(=O)C1CCCCCCC1N
InChIInChI=1S/C13H27NO2S/c1-3-11(2)10-17(15,16)13-9-7-5-4-6-8-12(13)14/h11-13H,3-10,14H2,1-2H3
InChIKeyLWFCGJFIWGZERG-UHFFFAOYSA-N
XLogP2.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylsulfonyl)cyclooctan-1-amine?
The IUPAC name of 2-(2-methylbutylsulfonyl)cyclooctan-1-amine (CID 107759605) is 2-(2-methylbutylsulfonyl)cyclooctan-1-amine.
What is the SMILES notation for 2-(2-methylbutylsulfonyl)cyclooctan-1-amine?
The canonical SMILES for 2-(2-methylbutylsulfonyl)cyclooctan-1-amine is CCC(C)CS(=O)(=O)C1CCCCCCC1N.
What is the InChIKey of 2-(2-methylbutylsulfonyl)cyclooctan-1-amine?
The InChIKey is LWFCGJFIWGZERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-3-11(2)10-17(15,16)13-9-7-5-4-6-8-12(13)14/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 2-(2-methylbutylsulfonyl)cyclooctan-1-amine?
2-(2-methylbutylsulfonyl)cyclooctan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylsulfonyl)cyclooctan-1-amine is sourced from PubChem (CID 107759605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).