3-(3-ethylsulfonylpropyl)cyclopent-2-en-1-amine

C10H19NO2S — CID 65174340

IUPAC3-(3-ethylsulfonylpropyl)cyclopent-2-en-1-amine
SMILESCCS(=O)(=O)CCCC1=CC(N)CC1
InChIInChI=1S/C10H19NO2S/c1-2-14(12,13)7-3-4-9-5-6-10(11)8-9/h8,10H,2-7,11H2,1H3
InChIKeyMXRXQFQXRAOCAN-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.25
Rot. Bonds5

About 3-(3-ethylsulfonylpropyl)cyclopent-2-en-1-amine

3-(3-ethylsulfonylpropyl)cyclopent-2-en-1-amine (PubChem CID 65174340) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-(3-ethylsulfonylpropyl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-(3-ethylsulfonylpropyl)cyclopent-2-en-1-amine
PubChem CID65174340
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name3-(3-ethylsulfonylpropyl)cyclopent-2-en-1-amine
SMILESCCS(=O)(=O)CCCC1=CC(N)CC1
InChIInChI=1S/C10H19NO2S/c1-2-14(12,13)7-3-4-9-5-6-10(11)8-9/h8,10H,2-7,11H2,1H3
InChIKeyMXRXQFQXRAOCAN-UHFFFAOYSA-N
XLogP1.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylpropyl)cyclopent-2-en-1-amine?
The IUPAC name of 3-(3-ethylsulfonylpropyl)cyclopent-2-en-1-amine (CID 65174340) is 3-(3-ethylsulfonylpropyl)cyclopent-2-en-1-amine.
What is the SMILES notation for 3-(3-ethylsulfonylpropyl)cyclopent-2-en-1-amine?
The canonical SMILES for 3-(3-ethylsulfonylpropyl)cyclopent-2-en-1-amine is CCS(=O)(=O)CCCC1=CC(N)CC1.
What is the InChIKey of 3-(3-ethylsulfonylpropyl)cyclopent-2-en-1-amine?
The InChIKey is MXRXQFQXRAOCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-2-14(12,13)7-3-4-9-5-6-10(11)8-9/h8,10H,2-7,11H2,1H3.
What are the key properties of 3-(3-ethylsulfonylpropyl)cyclopent-2-en-1-amine?
3-(3-ethylsulfonylpropyl)cyclopent-2-en-1-amine has a molecular weight of 217.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfonylpropyl)cyclopent-2-en-1-amine is sourced from PubChem (CID 65174340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).