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

C5H9Cl2NOS — CID 58684273

IUPAC2-(3,3-dichloroprop-2-enylsulfinyl)ethanamine
SMILESNCCS(=O)CC=C(Cl)Cl
InChIInChI=1S/C5H9Cl2NOS/c6-5(7)1-3-10(9)4-2-8/h1H,2-4,8H2
InChIKeyWMMQXSNPAHWLLR-UHFFFAOYSA-N
MW202.11 g/mol
LogP1.01
Rot. Bonds4

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

2-(3,3-dichloroprop-2-enylsulfinyl)ethanamine (PubChem CID 58684273) has the molecular formula C5H9Cl2NOS and a molecular weight of 202.11 g/mol. Its IUPAC name is 2-(3,3-dichloroprop-2-enylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dichloroprop-2-enylsulfinyl)ethanamine
PubChem CID58684273
Molecular FormulaC5H9Cl2NOS
Molecular Weight202.11 g/mol
Exact Mass200.98
IUPAC Name2-(3,3-dichloroprop-2-enylsulfinyl)ethanamine
SMILESNCCS(=O)CC=C(Cl)Cl
InChIInChI=1S/C5H9Cl2NOS/c6-5(7)1-3-10(9)4-2-8/h1H,2-4,8H2
InChIKeyWMMQXSNPAHWLLR-UHFFFAOYSA-N
XLogP1.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.11
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-Dichloroprop-2-enylsulfonyl)propan-1-amine
CID 58684063
3-(3,3-Dichloroprop-2-enylsulfanyl)propan-1-amine
CID 58684274
3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684290
2-[(E)-3-chloroprop-2-enyl]sulfinylethanamine
CID 58684303
3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine
CID 58684343
2-(2-Chloroprop-2-enylsulfinyl)ethanamine
CID 58684460
2-[(Z)-3-chloroprop-2-enyl]sulfinylethanamine
CID 58684622
2-(3,3-Dichloroprop-2-enylsulfonyl)ethanamine
CID 58684729
2-(3,3-Dichloroprop-2-enylsulfanyl)ethanamine
CID 58684760
3-(2-Chloroprop-2-enylsulfinyl)propan-1-amine
CID 58684886
2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine
CID 58684910
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-enylsulfinyl)ethanamine?
The IUPAC name of 2-(3,3-dichloroprop-2-enylsulfinyl)ethanamine (CID 58684273) is 2-(3,3-dichloroprop-2-enylsulfinyl)ethanamine.
What is the SMILES notation for 2-(3,3-dichloroprop-2-enylsulfinyl)ethanamine?
The canonical SMILES for 2-(3,3-dichloroprop-2-enylsulfinyl)ethanamine is NCCS(=O)CC=C(Cl)Cl.
What is the InChIKey of 2-(3,3-dichloroprop-2-enylsulfinyl)ethanamine?
The InChIKey is WMMQXSNPAHWLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2NOS/c6-5(7)1-3-10(9)4-2-8/h1H,2-4,8H2.
What are the key properties of 2-(3,3-dichloroprop-2-enylsulfinyl)ethanamine?
2-(3,3-dichloroprop-2-enylsulfinyl)ethanamine has a molecular weight of 202.11 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dichloroprop-2-enylsulfinyl)ethanamine is sourced from PubChem (CID 58684273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).