3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine

C6H11Cl2NO2S — CID 58684901

IUPAC3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)C/C(Cl)=C/Cl
InChIInChI=1S/C6H11Cl2NO2S/c7-4-6(8)5-12(10,11)3-1-2-9/h4H,1-3,5,9H2/b6-4-
InChIKeyRVOLVLSWBNPBAC-XQRVVYSFSA-N
MW232.13 g/mol
LogP1.07
Rot. Bonds5

About 3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine

3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine (PubChem CID 58684901) has the molecular formula C6H11Cl2NO2S and a molecular weight of 232.13 g/mol. Its IUPAC name is 3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine
PubChem CID58684901
Molecular FormulaC6H11Cl2NO2S
Molecular Weight232.13 g/mol
Exact Mass230.99
IUPAC Name3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)C/C(Cl)=C/Cl
InChIInChI=1S/C6H11Cl2NO2S/c7-4-6(8)5-12(10,11)3-1-2-9/h4H,1-3,5,9H2/b6-4-
InChIKeyRVOLVLSWBNPBAC-XQRVVYSFSA-N
XLogP1.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.13
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine?
The IUPAC name of 3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine (CID 58684901) is 3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine.
What is the SMILES notation for 3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine?
The canonical SMILES for 3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine is NCCCS(=O)(=O)C/C(Cl)=C/Cl.
What is the InChIKey of 3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine?
The InChIKey is RVOLVLSWBNPBAC-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H11Cl2NO2S/c7-4-6(8)5-12(10,11)3-1-2-9/h4H,1-3,5,9H2/b6-4-.
What are the key properties of 3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine?
3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine has a molecular weight of 232.13 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2,3-dichloroprop-2-enyl]sulfonylpropan-1-amine is sourced from PubChem (CID 58684901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).