2-(2-chlorocyclobuten-1-yl)sulfinylethanamine

C6H10ClNOS — CID 91553199

IUPAC2-(2-chlorocyclobuten-1-yl)sulfinylethanamine
SMILESNCCS(=O)C1=C(Cl)CC1
InChIInChI=1S/C6H10ClNOS/c7-5-1-2-6(5)10(9)4-3-8/h1-4,8H2
InChIKeyWWGSXLNOBPZGLM-UHFFFAOYSA-N
MW179.67 g/mol
LogP0.94
Rot. Bonds3

About 2-(2-chlorocyclobuten-1-yl)sulfinylethanamine

2-(2-chlorocyclobuten-1-yl)sulfinylethanamine (PubChem CID 91553199) has the molecular formula C6H10ClNOS and a molecular weight of 179.67 g/mol. Its IUPAC name is 2-(2-chlorocyclobuten-1-yl)sulfinylethanamine.

Molecular Properties

Compound Name2-(2-chlorocyclobuten-1-yl)sulfinylethanamine
PubChem CID91553199
Molecular FormulaC6H10ClNOS
Molecular Weight179.67 g/mol
Exact Mass179.02
IUPAC Name2-(2-chlorocyclobuten-1-yl)sulfinylethanamine
SMILESNCCS(=O)C1=C(Cl)CC1
InChIInChI=1S/C6H10ClNOS/c7-5-1-2-6(5)10(9)4-3-8/h1-4,8H2
InChIKeyWWGSXLNOBPZGLM-UHFFFAOYSA-N
XLogP0.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.67
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorocyclobut-2-en-1-yl)sulfinylethanamine
CID 58684502
3-(4-Chlorocyclobut-2-en-1-yl)sulfinylpropan-1-amine
CID 58684545
3-(2-Chlorocyclobuten-1-yl)sulfinylpropan-1-amine
CID 91043783

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorocyclobuten-1-yl)sulfinylethanamine?
The IUPAC name of 2-(2-chlorocyclobuten-1-yl)sulfinylethanamine (CID 91553199) is 2-(2-chlorocyclobuten-1-yl)sulfinylethanamine.
What is the SMILES notation for 2-(2-chlorocyclobuten-1-yl)sulfinylethanamine?
The canonical SMILES for 2-(2-chlorocyclobuten-1-yl)sulfinylethanamine is NCCS(=O)C1=C(Cl)CC1.
What is the InChIKey of 2-(2-chlorocyclobuten-1-yl)sulfinylethanamine?
The InChIKey is WWGSXLNOBPZGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNOS/c7-5-1-2-6(5)10(9)4-3-8/h1-4,8H2.
What are the key properties of 2-(2-chlorocyclobuten-1-yl)sulfinylethanamine?
2-(2-chlorocyclobuten-1-yl)sulfinylethanamine has a molecular weight of 179.67 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorocyclobuten-1-yl)sulfinylethanamine is sourced from PubChem (CID 91553199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).