2-(2-chloroprop-2-enylsulfonyl)ethanamine

C5H10ClNO2S — CID 58684952

IUPAC2-(2-chloroprop-2-enylsulfonyl)ethanamine
SMILESC=C(Cl)CS(=O)(=O)CCN
InChIInChI=1S/C5H10ClNO2S/c1-5(6)4-10(8,9)3-2-7/h1-4,7H2
InChIKeyVCTQRGVYSZLTKY-UHFFFAOYSA-N
MW183.66 g/mol
LogP0.11
Rot. Bonds4

About 2-(2-chloroprop-2-enylsulfonyl)ethanamine

2-(2-chloroprop-2-enylsulfonyl)ethanamine (PubChem CID 58684952) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is 2-(2-chloroprop-2-enylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloroprop-2-enylsulfonyl)ethanamine
PubChem CID58684952
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC Name2-(2-chloroprop-2-enylsulfonyl)ethanamine
SMILESC=C(Cl)CS(=O)(=O)CCN
InChIInChI=1S/C5H10ClNO2S/c1-5(6)4-10(8,9)3-2-7/h1-4,7H2
InChIKeyVCTQRGVYSZLTKY-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroprop-2-enylsulfonyl)ethanamine?
The IUPAC name of 2-(2-chloroprop-2-enylsulfonyl)ethanamine (CID 58684952) is 2-(2-chloroprop-2-enylsulfonyl)ethanamine.
What is the SMILES notation for 2-(2-chloroprop-2-enylsulfonyl)ethanamine?
The canonical SMILES for 2-(2-chloroprop-2-enylsulfonyl)ethanamine is C=C(Cl)CS(=O)(=O)CCN.
What is the InChIKey of 2-(2-chloroprop-2-enylsulfonyl)ethanamine?
The InChIKey is VCTQRGVYSZLTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO2S/c1-5(6)4-10(8,9)3-2-7/h1-4,7H2.
What are the key properties of 2-(2-chloroprop-2-enylsulfonyl)ethanamine?
2-(2-chloroprop-2-enylsulfonyl)ethanamine has a molecular weight of 183.66 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroprop-2-enylsulfonyl)ethanamine is sourced from PubChem (CID 58684952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).