2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine

C6H11Cl2NS — CID 79168224

IUPAC2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine
SMILESCSCCNCC(Cl)=CCl
InChIInChI=1S/C6H11Cl2NS/c1-10-3-2-9-5-6(8)4-7/h4,9H,2-3,5H2,1H3
InChIKeyCYXVCZARIGJNLK-UHFFFAOYSA-N
MW200.13 g/mol
LogP2.26
Rot. Bonds5

About 2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine

2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine (PubChem CID 79168224) has the molecular formula C6H11Cl2NS and a molecular weight of 200.13 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine
PubChem CID79168224
Molecular FormulaC6H11Cl2NS
Molecular Weight200.13 g/mol
Exact Mass199.00
IUPAC Name2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine
SMILESCSCCNCC(Cl)=CCl
InChIInChI=1S/C6H11Cl2NS/c1-10-3-2-9-5-6(8)4-7/h4,9H,2-3,5H2,1H3
InChIKeyCYXVCZARIGJNLK-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine (CID 79168224) is 2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine is CSCCNCC(Cl)=CCl.
What is the InChIKey of 2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine?
The InChIKey is CYXVCZARIGJNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2NS/c1-10-3-2-9-5-6(8)4-7/h4,9H,2-3,5H2,1H3.
What are the key properties of 2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine?
2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine has a molecular weight of 200.13 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine is sourced from PubChem (CID 79168224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).