[2-(2-methylbutylsulfonyl)cyclopentyl]methanamine

C11H23NO2S — CID 107767198

IUPAC[2-(2-methylbutylsulfonyl)cyclopentyl]methanamine
SMILESCCC(C)CS(=O)(=O)C1CCCC1CN
InChIInChI=1S/C11H23NO2S/c1-3-9(2)8-15(13,14)11-6-4-5-10(11)7-12/h9-11H,3-8,12H2,1-2H3
InChIKeyWWDSJNYZXHPMLB-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.57
Rot. Bonds5

About [2-(2-methylbutylsulfonyl)cyclopentyl]methanamine

[2-(2-methylbutylsulfonyl)cyclopentyl]methanamine (PubChem CID 107767198) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is [2-(2-methylbutylsulfonyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylbutylsulfonyl)cyclopentyl]methanamine
PubChem CID107767198
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name[2-(2-methylbutylsulfonyl)cyclopentyl]methanamine
SMILESCCC(C)CS(=O)(=O)C1CCCC1CN
InChIInChI=1S/C11H23NO2S/c1-3-9(2)8-15(13,14)11-6-4-5-10(11)7-12/h9-11H,3-8,12H2,1-2H3
InChIKeyWWDSJNYZXHPMLB-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbutylsulfonyl)cyclopentyl]methanamine?
The IUPAC name of [2-(2-methylbutylsulfonyl)cyclopentyl]methanamine (CID 107767198) is [2-(2-methylbutylsulfonyl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(2-methylbutylsulfonyl)cyclopentyl]methanamine?
The canonical SMILES for [2-(2-methylbutylsulfonyl)cyclopentyl]methanamine is CCC(C)CS(=O)(=O)C1CCCC1CN.
What is the InChIKey of [2-(2-methylbutylsulfonyl)cyclopentyl]methanamine?
The InChIKey is WWDSJNYZXHPMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-9(2)8-15(13,14)11-6-4-5-10(11)7-12/h9-11H,3-8,12H2,1-2H3.
What are the key properties of [2-(2-methylbutylsulfonyl)cyclopentyl]methanamine?
[2-(2-methylbutylsulfonyl)cyclopentyl]methanamine has a molecular weight of 233.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbutylsulfonyl)cyclopentyl]methanamine is sourced from PubChem (CID 107767198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).