2-cyclobut-2-en-1-ylsulfinylethanamine

C6H11NOS — CID 58685086

IUPAC2-cyclobut-2-en-1-ylsulfinylethanamine
SMILESNCCS(=O)C1C=CC1
InChIInChI=1S/C6H11NOS/c7-4-5-9(8)6-2-1-3-6/h1-2,6H,3-5,7H2
InChIKeyKUWKLKOTZOOVLG-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.02
Rot. Bonds3

About 2-cyclobut-2-en-1-ylsulfinylethanamine

2-cyclobut-2-en-1-ylsulfinylethanamine (PubChem CID 58685086) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 2-cyclobut-2-en-1-ylsulfinylethanamine.

Molecular Properties

Compound Name2-cyclobut-2-en-1-ylsulfinylethanamine
PubChem CID58685086
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name2-cyclobut-2-en-1-ylsulfinylethanamine
SMILESNCCS(=O)C1C=CC1
InChIInChI=1S/C6H11NOS/c7-4-5-9(8)6-2-1-3-6/h1-2,6H,3-5,7H2
InChIKeyKUWKLKOTZOOVLG-UHFFFAOYSA-N
XLogP0.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclopent-2-en-1-ylsulfinylethanamine
CID 58684091
2-Cyclobut-2-en-1-ylsulfonylethanamine
CID 58684138
3-Cyclobut-2-en-1-ylsulfinylpropan-1-amine
CID 58684311
2-[(E)-but-2-enyl]sulfinylethanamine
CID 58684340
3-Prop-2-enylsulfinylbutan-1-amine
CID 58684374
3-[(E)-but-2-enyl]sulfinylpropan-1-amine
CID 58684397
3-But-3-enylsulfinylpropan-1-amine
CID 58684424
2-Cyclopent-3-en-1-ylsulfinylethanamine
CID 58684426
2-(4-Chlorocyclobut-2-en-1-yl)sulfinylethanamine
CID 58684502
3-Prop-2-enylsulfinylpropan-1-amine
CID 58684512
3-(4-Chlorocyclobut-2-en-1-yl)sulfinylpropan-1-amine
CID 58684545
3-But-3-en-2-ylsulfonylpropan-1-amine
CID 58684589

Frequently Asked Questions

What is the IUPAC name of 2-cyclobut-2-en-1-ylsulfinylethanamine?
The IUPAC name of 2-cyclobut-2-en-1-ylsulfinylethanamine (CID 58685086) is 2-cyclobut-2-en-1-ylsulfinylethanamine.
What is the SMILES notation for 2-cyclobut-2-en-1-ylsulfinylethanamine?
The canonical SMILES for 2-cyclobut-2-en-1-ylsulfinylethanamine is NCCS(=O)C1C=CC1.
What is the InChIKey of 2-cyclobut-2-en-1-ylsulfinylethanamine?
The InChIKey is KUWKLKOTZOOVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c7-4-5-9(8)6-2-1-3-6/h1-2,6H,3-5,7H2.
What are the key properties of 2-cyclobut-2-en-1-ylsulfinylethanamine?
2-cyclobut-2-en-1-ylsulfinylethanamine has a molecular weight of 145.23 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobut-2-en-1-ylsulfinylethanamine is sourced from PubChem (CID 58685086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).