[1-(2-methylsulfonylethoxy)cyclopentyl]methanamine

C9H19NO3S — CID 65050759

IUPAC[1-(2-methylsulfonylethoxy)cyclopentyl]methanamine
SMILESCS(=O)(=O)CCOC1(CN)CCCC1
InChIInChI=1S/C9H19NO3S/c1-14(11,12)7-6-13-9(8-10)4-2-3-5-9/h2-8,10H2,1H3
InChIKeyUSRGQXSQDWMKEQ-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.32
Rot. Bonds5

About [1-(2-methylsulfonylethoxy)cyclopentyl]methanamine

[1-(2-methylsulfonylethoxy)cyclopentyl]methanamine (PubChem CID 65050759) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is [1-(2-methylsulfonylethoxy)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-methylsulfonylethoxy)cyclopentyl]methanamine
PubChem CID65050759
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name[1-(2-methylsulfonylethoxy)cyclopentyl]methanamine
SMILESCS(=O)(=O)CCOC1(CN)CCCC1
InChIInChI=1S/C9H19NO3S/c1-14(11,12)7-6-13-9(8-10)4-2-3-5-9/h2-8,10H2,1H3
InChIKeyUSRGQXSQDWMKEQ-UHFFFAOYSA-N
XLogP0.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylsulfonylethoxy)cyclopentyl]methanamine?
The IUPAC name of [1-(2-methylsulfonylethoxy)cyclopentyl]methanamine (CID 65050759) is [1-(2-methylsulfonylethoxy)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2-methylsulfonylethoxy)cyclopentyl]methanamine?
The canonical SMILES for [1-(2-methylsulfonylethoxy)cyclopentyl]methanamine is CS(=O)(=O)CCOC1(CN)CCCC1.
What is the InChIKey of [1-(2-methylsulfonylethoxy)cyclopentyl]methanamine?
The InChIKey is USRGQXSQDWMKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-14(11,12)7-6-13-9(8-10)4-2-3-5-9/h2-8,10H2,1H3.
What are the key properties of [1-(2-methylsulfonylethoxy)cyclopentyl]methanamine?
[1-(2-methylsulfonylethoxy)cyclopentyl]methanamine has a molecular weight of 221.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylsulfonylethoxy)cyclopentyl]methanamine is sourced from PubChem (CID 65050759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).