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

C7H13Cl2NOS — CID 104865577

IUPAC2,3-dichloro-N-(2-methylsulfinylpropyl)prop-2-en-1-amine
SMILESCC(CNCC(Cl)=CCl)S(C)=O
InChIInChI=1S/C7H13Cl2NOS/c1-6(12(2)11)4-10-5-7(9)3-8/h3,6,10H,4-5H2,1-2H3
InChIKeyIVAKZJIEYSFTLL-UHFFFAOYSA-N
MW230.16 g/mol
LogP1.66
Rot. Bonds5

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

2,3-dichloro-N-(2-methylsulfinylpropyl)prop-2-en-1-amine (PubChem CID 104865577) has the molecular formula C7H13Cl2NOS and a molecular weight of 230.16 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-methylsulfinylpropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-(2-methylsulfinylpropyl)prop-2-en-1-amine
PubChem CID104865577
Molecular FormulaC7H13Cl2NOS
Molecular Weight230.16 g/mol
Exact Mass229.01
IUPAC Name2,3-dichloro-N-(2-methylsulfinylpropyl)prop-2-en-1-amine
SMILESCC(CNCC(Cl)=CCl)S(C)=O
InChIInChI=1S/C7H13Cl2NOS/c1-6(12(2)11)4-10-5-7(9)3-8/h3,6,10H,4-5H2,1-2H3
InChIKeyIVAKZJIEYSFTLL-UHFFFAOYSA-N
XLogP1.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-methylsulfinylpropyl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-(2-methylsulfinylpropyl)prop-2-en-1-amine (CID 104865577) is 2,3-dichloro-N-(2-methylsulfinylpropyl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-(2-methylsulfinylpropyl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-(2-methylsulfinylpropyl)prop-2-en-1-amine is CC(CNCC(Cl)=CCl)S(C)=O.
What is the InChIKey of 2,3-dichloro-N-(2-methylsulfinylpropyl)prop-2-en-1-amine?
The InChIKey is IVAKZJIEYSFTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2NOS/c1-6(12(2)11)4-10-5-7(9)3-8/h3,6,10H,4-5H2,1-2H3.
What are the key properties of 2,3-dichloro-N-(2-methylsulfinylpropyl)prop-2-en-1-amine?
2,3-dichloro-N-(2-methylsulfinylpropyl)prop-2-en-1-amine has a molecular weight of 230.16 g/mol, XLogP of 1.66, 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-methylsulfinylpropyl)prop-2-en-1-amine is sourced from PubChem (CID 104865577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).