[1-(2-ethylsulfonylethyl)cyclopentyl]methanamine

C10H21NO2S — CID 62725091

IUPAC[1-(2-ethylsulfonylethyl)cyclopentyl]methanamine
SMILESCCS(=O)(=O)CCC1(CN)CCCC1
InChIInChI=1S/C10H21NO2S/c1-2-14(12,13)8-7-10(9-11)5-3-4-6-10/h2-9,11H2,1H3
InChIKeyPVUXTXVBLJVBRQ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.33
Rot. Bonds5

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

[1-(2-ethylsulfonylethyl)cyclopentyl]methanamine (PubChem CID 62725091) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is [1-(2-ethylsulfonylethyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylsulfonylethyl)cyclopentyl]methanamine
PubChem CID62725091
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name[1-(2-ethylsulfonylethyl)cyclopentyl]methanamine
SMILESCCS(=O)(=O)CCC1(CN)CCCC1
InChIInChI=1S/C10H21NO2S/c1-2-14(12,13)8-7-10(9-11)5-3-4-6-10/h2-9,11H2,1H3
InChIKeyPVUXTXVBLJVBRQ-UHFFFAOYSA-N
XLogP1.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylsulfonylethyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2-ethylsulfonylethyl)cyclopentyl]methanamine (CID 62725091) is [1-(2-ethylsulfonylethyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2-ethylsulfonylethyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2-ethylsulfonylethyl)cyclopentyl]methanamine is CCS(=O)(=O)CCC1(CN)CCCC1.
What is the InChIKey of [1-(2-ethylsulfonylethyl)cyclopentyl]methanamine?
The InChIKey is PVUXTXVBLJVBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-2-14(12,13)8-7-10(9-11)5-3-4-6-10/h2-9,11H2,1H3.
What are the key properties of [1-(2-ethylsulfonylethyl)cyclopentyl]methanamine?
[1-(2-ethylsulfonylethyl)cyclopentyl]methanamine has a molecular weight of 219.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylsulfonylethyl)cyclopentyl]methanamine is sourced from PubChem (CID 62725091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).