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

C6H11Cl2NOS — CID 58684290

IUPAC3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine
SMILESNCCCS(=O)C/C(Cl)=C/Cl
InChIInChI=1S/C6H11Cl2NOS/c7-4-6(8)5-11(10)3-1-2-9/h4H,1-3,5,9H2/b6-4-
InChIKeyBHBXUZRIOBTXFU-XQRVVYSFSA-N
MW216.13 g/mol
LogP1.40
Rot. Bonds5

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

3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine (PubChem CID 58684290) has the molecular formula C6H11Cl2NOS and a molecular weight of 216.13 g/mol. Its IUPAC name is 3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine.

Molecular Properties

Compound Name3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine
PubChem CID58684290
Molecular FormulaC6H11Cl2NOS
Molecular Weight216.13 g/mol
Exact Mass214.99
IUPAC Name3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine
SMILESNCCCS(=O)C/C(Cl)=C/Cl
InChIInChI=1S/C6H11Cl2NOS/c7-4-6(8)5-11(10)3-1-2-9/h4H,1-3,5,9H2/b6-4-
InChIKeyBHBXUZRIOBTXFU-XQRVVYSFSA-N
XLogP1.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-3-chloroprop-2-enyl]sulfonylpropan-1-amine
CID 58684110
2-(3,3-Dichloroprop-2-enylsulfinyl)ethanamine
CID 58684273
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
3-[(Z)-3-chloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684483
3-(2-Chloroprop-2-enylsulfonyl)propan-1-amine
CID 58684526
2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine
CID 58684534
2-[(Z)-2,3-dichloroprop-2-enyl]sulfonylethanamine
CID 58684540
3-[(E)-3-chloroprop-2-enyl]sulfinylpropan-1-amine
CID 58684562
2-[(Z)-3-chloroprop-2-enyl]sulfinylethanamine
CID 58684622
3-(2-Chloroprop-2-enylsulfinyl)propan-1-amine
CID 58684886

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine?
The IUPAC name of 3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine (CID 58684290) is 3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine.
What is the SMILES notation for 3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine?
The canonical SMILES for 3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine is NCCCS(=O)C/C(Cl)=C/Cl.
What is the InChIKey of 3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine?
The InChIKey is BHBXUZRIOBTXFU-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H11Cl2NOS/c7-4-6(8)5-11(10)3-1-2-9/h4H,1-3,5,9H2/b6-4-.
What are the key properties of 3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine?
3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine has a molecular weight of 216.13 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2,3-dichloroprop-2-enyl]sulfinylpropan-1-amine is sourced from PubChem (CID 58684290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).