2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine

C5H9Cl2NO2S — CID 58684540

IUPAC2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine
SMILESNCCS(=O)(=O)C/C(Cl)=C/Cl
InChIInChI=1S/C5H9Cl2NO2S/c6-3-5(7)4-11(9,10)2-1-8/h3H,1-2,4,8H2/b5-3-
InChIKeyTZUSYWGBBGUXRJ-HYXAFXHYSA-N
MW218.10 g/mol
LogP0.68
Rot. Bonds4

About 2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine

2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine (PubChem CID 58684540) has the molecular formula C5H9Cl2NO2S and a molecular weight of 218.10 g/mol. Its IUPAC name is 2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine.

Molecular Properties

Compound Name2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine
PubChem CID58684540
Molecular FormulaC5H9Cl2NO2S
Molecular Weight218.10 g/mol
Exact Mass216.97
IUPAC Name2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine
SMILESNCCS(=O)(=O)C/C(Cl)=C/Cl
InChIInChI=1S/C5H9Cl2NO2S/c6-3-5(7)4-11(9,10)2-1-8/h3H,1-2,4,8H2/b5-3-
InChIKeyTZUSYWGBBGUXRJ-HYXAFXHYSA-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-Chloroethylsulfonyl)propan-1-amine
CID 11052335
3-(2-Chloroethylsulfonyl)propan-1-amine;hydrochloride
CID 14847865
2-(2-Chloroethanesulfonyl)ethan-1-amine
CID 15250620
2-(2-Chloroethanesulfonyl)ethylamine hydrochloride
CID 19384864
2-Chloro-3-(2-chloroethylsulfonyl)propan-1-amine
CID 19883904
2-Chloro-3-(2-chloroethylsulfonyl)propan-1-amine;hydrochloride
CID 20134363
N-chloro-3-(2-chloroethylsulfonyl)propan-1-amine
CID 53953240
N-chloro-2-(2-chloroethylsulfonyl)ethanamine
CID 54323468
2-(2-Chloroethylsulfonyl)propan-1-amine
CID 54569023
3-(3,3-Dichloroprop-2-enylsulfonyl)propan-1-amine
CID 58684063
3-[(E)-3-chloroprop-2-enyl]sulfonylpropan-1-amine
CID 58684110
3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684290

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine?
The IUPAC name of 2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine (CID 58684540) is 2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine.
What is the SMILES notation for 2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine?
The canonical SMILES for 2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine is NCCS(=O)(=O)C/C(Cl)=C/Cl.
What is the InChIKey of 2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine?
The InChIKey is TZUSYWGBBGUXRJ-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H9Cl2NO2S/c6-3-5(7)4-11(9,10)2-1-8/h3H,1-2,4,8H2/b5-3-.
What are the key properties of 2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine?
2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine 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-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine is sourced from PubChem (CID 58684540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).