N-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine

C8H15Cl2NS — CID 79168325

IUPACN-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2NS/c1-7(6-12-2)4-11-5-8(10)3-9/h3,7,11H,4-6H2,1-2H3
InChIKeyPFZZKDPSOVXEIA-UHFFFAOYSA-N
MW228.19 g/mol
LogP2.89
Rot. Bonds6

About N-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine

N-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 79168325) has the molecular formula C8H15Cl2NS and a molecular weight of 228.19 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID79168325
Molecular FormulaC8H15Cl2NS
Molecular Weight228.19 g/mol
Exact Mass227.03
IUPAC NameN-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2NS/c1-7(6-12-2)4-11-5-8(10)3-9/h3,7,11H,4-6H2,1-2H3
InChIKeyPFZZKDPSOVXEIA-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine (CID 79168325) is N-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine is CSCC(C)CNCC(Cl)=CCl.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is PFZZKDPSOVXEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2NS/c1-7(6-12-2)4-11-5-8(10)3-9/h3,7,11H,4-6H2,1-2H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine?
N-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 228.19 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 79168325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).