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

C8H15Cl2NO2S — CID 79552456

IUPACN-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(C)(CNCC(Cl)=CCl)S(C)(=O)=O
InChIInChI=1S/C8H15Cl2NO2S/c1-8(2,14(3,12)13)6-11-5-7(10)4-9/h4,11H,5-6H2,1-3H3
InChIKeyVVGYXANOKAZWRC-UHFFFAOYSA-N
MW260.19 g/mol
LogP1.72
Rot. Bonds5

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

N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 79552456) has the molecular formula C8H15Cl2NO2S and a molecular weight of 260.19 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID79552456
Molecular FormulaC8H15Cl2NO2S
Molecular Weight260.19 g/mol
Exact Mass259.02
IUPAC NameN-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(C)(CNCC(Cl)=CCl)S(C)(=O)=O
InChIInChI=1S/C8H15Cl2NO2S/c1-8(2,14(3,12)13)6-11-5-7(10)4-9/h4,11H,5-6H2,1-3H3
InChIKeyVVGYXANOKAZWRC-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfonylpropan-1-amine (CID 79552456) is N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfonylpropan-1-amine is CC(C)(CNCC(Cl)=CCl)S(C)(=O)=O.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is VVGYXANOKAZWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2NO2S/c1-8(2,14(3,12)13)6-11-5-7(10)4-9/h4,11H,5-6H2,1-3H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfonylpropan-1-amine?
N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 260.19 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 79552456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).