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

C8H15NOS — CID 130791836

IUPAC3-(2-methylsulfinylethyl)cyclopent-2-en-1-amine
SMILESCS(=O)CCC1=CC(N)CC1
InChIInChI=1S/C8H15NOS/c1-11(10)5-4-7-2-3-8(9)6-7/h6,8H,2-5,9H2,1H3
InChIKeyKFQUPDBHXQTJBR-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.80
Rot. Bonds3

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

3-(2-methylsulfinylethyl)cyclopent-2-en-1-amine (PubChem CID 130791836) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 3-(2-methylsulfinylethyl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-(2-methylsulfinylethyl)cyclopent-2-en-1-amine
PubChem CID130791836
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name3-(2-methylsulfinylethyl)cyclopent-2-en-1-amine
SMILESCS(=O)CCC1=CC(N)CC1
InChIInChI=1S/C8H15NOS/c1-11(10)5-4-7-2-3-8(9)6-7/h6,8H,2-5,9H2,1H3
InChIKeyKFQUPDBHXQTJBR-UHFFFAOYSA-N
XLogP0.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-methylsulfinylethyl)cyclopent-2-en-1-amine?
The IUPAC name of 3-(2-methylsulfinylethyl)cyclopent-2-en-1-amine (CID 130791836) is 3-(2-methylsulfinylethyl)cyclopent-2-en-1-amine.
What is the SMILES notation for 3-(2-methylsulfinylethyl)cyclopent-2-en-1-amine?
The canonical SMILES for 3-(2-methylsulfinylethyl)cyclopent-2-en-1-amine is CS(=O)CCC1=CC(N)CC1.
What is the InChIKey of 3-(2-methylsulfinylethyl)cyclopent-2-en-1-amine?
The InChIKey is KFQUPDBHXQTJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-11(10)5-4-7-2-3-8(9)6-7/h6,8H,2-5,9H2,1H3.
What are the key properties of 3-(2-methylsulfinylethyl)cyclopent-2-en-1-amine?
3-(2-methylsulfinylethyl)cyclopent-2-en-1-amine has a molecular weight of 173.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfinylethyl)cyclopent-2-en-1-amine is sourced from PubChem (CID 130791836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).