2-(3,3-dichloroprop-2-enylsulfonyl)ethanamine

C5H9Cl2NO2S — CID 58684729

IUPAC2-(3,3-dichloroprop-2-enylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CC=C(Cl)Cl
InChIInChI=1S/C5H9Cl2NO2S/c6-5(7)1-3-11(9,10)4-2-8/h1H,2-4,8H2
InChIKeyKZHQRMNIFLBGOD-UHFFFAOYSA-N
MW218.10 g/mol
LogP0.68
Rot. Bonds4

About 2-(3,3-dichloroprop-2-enylsulfonyl)ethanamine

2-(3,3-dichloroprop-2-enylsulfonyl)ethanamine (PubChem CID 58684729) has the molecular formula C5H9Cl2NO2S and a molecular weight of 218.10 g/mol. Its IUPAC name is 2-(3,3-dichloroprop-2-enylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dichloroprop-2-enylsulfonyl)ethanamine
PubChem CID58684729
Molecular FormulaC5H9Cl2NO2S
Molecular Weight218.10 g/mol
Exact Mass216.97
IUPAC Name2-(3,3-dichloroprop-2-enylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CC=C(Cl)Cl
InChIInChI=1S/C5H9Cl2NO2S/c6-5(7)1-3-11(9,10)4-2-8/h1H,2-4,8H2
InChIKeyKZHQRMNIFLBGOD-UHFFFAOYSA-N
XLogP0.68
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
3-(3,3-Dichloroprop-2-enylsulfonyl)propan-1-amine
CID 58684063
2-(3,3-Dichloroprop-2-enylsulfinyl)ethanamine
CID 58684273
3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine
CID 58684384
3-(2-Chloroprop-2-enylsulfonyl)propan-1-amine
CID 58684526
2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine
CID 58684540
2-[(E)-3-chloroprop-2-enyl]sulfonylethanamine
CID 58684550
2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine
CID 58684824
3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine
CID 58684901
2-(2-Chloroprop-2-enylsulfonyl)ethanamine
CID 58684952
2-[(Z)-3-chloroprop-2-enyl]sulfonylethanamine
CID 58685034
3-(3,3-Dichloroprop-2-enylsulfinyl)propan-1-amine
CID 58685125

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dichloroprop-2-enylsulfonyl)ethanamine?
The IUPAC name of 2-(3,3-dichloroprop-2-enylsulfonyl)ethanamine (CID 58684729) is 2-(3,3-dichloroprop-2-enylsulfonyl)ethanamine.
What is the SMILES notation for 2-(3,3-dichloroprop-2-enylsulfonyl)ethanamine?
The canonical SMILES for 2-(3,3-dichloroprop-2-enylsulfonyl)ethanamine is NCCS(=O)(=O)CC=C(Cl)Cl.
What is the InChIKey of 2-(3,3-dichloroprop-2-enylsulfonyl)ethanamine?
The InChIKey is KZHQRMNIFLBGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2NO2S/c6-5(7)1-3-11(9,10)4-2-8/h1H,2-4,8H2.
What are the key properties of 2-(3,3-dichloroprop-2-enylsulfonyl)ethanamine?
2-(3,3-dichloroprop-2-enylsulfonyl)ethanamine has a molecular weight of 218.10 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dichloroprop-2-enylsulfonyl)ethanamine is sourced from PubChem (CID 58684729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).