2-(2-methylsulfonylethyl)cyclopentan-1-amine

C8H17NO2S — CID 61381598

IUPAC2-(2-methylsulfonylethyl)cyclopentan-1-amine
SMILESCS(=O)(=O)CCC1CCCC1N
InChIInChI=1S/C8H17NO2S/c1-12(10,11)6-5-7-3-2-4-8(7)9/h7-8H,2-6,9H2,1H3
InChIKeyPUUFSEBWUVSVGK-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.55
Rot. Bonds3

About 2-(2-methylsulfonylethyl)cyclopentan-1-amine

2-(2-methylsulfonylethyl)cyclopentan-1-amine (PubChem CID 61381598) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(2-methylsulfonylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-methylsulfonylethyl)cyclopentan-1-amine
PubChem CID61381598
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-(2-methylsulfonylethyl)cyclopentan-1-amine
SMILESCS(=O)(=O)CCC1CCCC1N
InChIInChI=1S/C8H17NO2S/c1-12(10,11)6-5-7-3-2-4-8(7)9/h7-8H,2-6,9H2,1H3
InChIKeyPUUFSEBWUVSVGK-UHFFFAOYSA-N
XLogP0.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethyl)cyclopentan-1-amine?
The IUPAC name of 2-(2-methylsulfonylethyl)cyclopentan-1-amine (CID 61381598) is 2-(2-methylsulfonylethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-(2-methylsulfonylethyl)cyclopentan-1-amine?
The canonical SMILES for 2-(2-methylsulfonylethyl)cyclopentan-1-amine is CS(=O)(=O)CCC1CCCC1N.
What is the InChIKey of 2-(2-methylsulfonylethyl)cyclopentan-1-amine?
The InChIKey is PUUFSEBWUVSVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-12(10,11)6-5-7-3-2-4-8(7)9/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-(2-methylsulfonylethyl)cyclopentan-1-amine?
2-(2-methylsulfonylethyl)cyclopentan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethyl)cyclopentan-1-amine is sourced from PubChem (CID 61381598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).