[2-(2-ethylsulfonylethyl)cyclobutyl]methanamine

C9H19NO2S — CID 106735365

IUPAC[2-(2-ethylsulfonylethyl)cyclobutyl]methanamine
SMILESCCS(=O)(=O)CCC1CCC1CN
InChIInChI=1S/C9H19NO2S/c1-2-13(11,12)6-5-8-3-4-9(8)7-10/h8-9H,2-7,10H2,1H3
InChIKeyZVOKVJFGGJPKAF-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.80
Rot. Bonds5

About [2-(2-ethylsulfonylethyl)cyclobutyl]methanamine

[2-(2-ethylsulfonylethyl)cyclobutyl]methanamine (PubChem CID 106735365) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is [2-(2-ethylsulfonylethyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylsulfonylethyl)cyclobutyl]methanamine
PubChem CID106735365
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name[2-(2-ethylsulfonylethyl)cyclobutyl]methanamine
SMILESCCS(=O)(=O)CCC1CCC1CN
InChIInChI=1S/C9H19NO2S/c1-2-13(11,12)6-5-8-3-4-9(8)7-10/h8-9H,2-7,10H2,1H3
InChIKeyZVOKVJFGGJPKAF-UHFFFAOYSA-N
XLogP0.80
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylsulfonylethyl)cyclobutyl]methanamine?
The IUPAC name of [2-(2-ethylsulfonylethyl)cyclobutyl]methanamine (CID 106735365) is [2-(2-ethylsulfonylethyl)cyclobutyl]methanamine.
What is the SMILES notation for [2-(2-ethylsulfonylethyl)cyclobutyl]methanamine?
The canonical SMILES for [2-(2-ethylsulfonylethyl)cyclobutyl]methanamine is CCS(=O)(=O)CCC1CCC1CN.
What is the InChIKey of [2-(2-ethylsulfonylethyl)cyclobutyl]methanamine?
The InChIKey is ZVOKVJFGGJPKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-13(11,12)6-5-8-3-4-9(8)7-10/h8-9H,2-7,10H2,1H3.
What are the key properties of [2-(2-ethylsulfonylethyl)cyclobutyl]methanamine?
[2-(2-ethylsulfonylethyl)cyclobutyl]methanamine has a molecular weight of 205.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylsulfonylethyl)cyclobutyl]methanamine is sourced from PubChem (CID 106735365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).