1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine

C12H15Cl2NO2S — CID 64675532

IUPAC1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine
SMILESCNC(CS(=O)(=O)c1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C12H15Cl2NO2S/c1-15-11(8-5-6-8)7-18(16,17)12-9(13)3-2-4-10(12)14/h2-4,8,11,15H,5-7H2,1H3
InChIKeyKSAQWWLLLCQZME-UHFFFAOYSA-N
MW308.23 g/mol
LogP2.77
Rot. Bonds5

About 1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine

1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine (PubChem CID 64675532) has the molecular formula C12H15Cl2NO2S and a molecular weight of 308.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine
PubChem CID64675532
Molecular FormulaC12H15Cl2NO2S
Molecular Weight308.23 g/mol
Exact Mass307.02
IUPAC Name1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine
SMILESCNC(CS(=O)(=O)c1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C12H15Cl2NO2S/c1-15-11(8-5-6-8)7-18(16,17)12-9(13)3-2-4-10(12)14/h2-4,8,11,15H,5-7H2,1H3
InChIKeyKSAQWWLLLCQZME-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine
CID 104754082
2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754077
2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
CID 64674939
1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine
CID 104754126
1-cyclopropyl-N-methyl-2-(2-nitrophenyl)sulfonylethanamine
CID 64646113
1-cyclopentyl-2-(2-fluorophenyl)sulfonyl-N-methylethanamine
CID 104753879
1,3-dichloro-2-(2,2-dimethoxyethylsulfonyl)benzene
CID 66224121
1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
CID 104753847
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 82805685
1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 115778747
N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
CID 106737809
N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide
CID 119986929

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine?
The IUPAC name of 1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine (CID 64675532) is 1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine?
The canonical SMILES for 1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine is CNC(CS(=O)(=O)c1c(Cl)cccc1Cl)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine?
The InChIKey is KSAQWWLLLCQZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2S/c1-15-11(8-5-6-8)7-18(16,17)12-9(13)3-2-4-10(12)14/h2-4,8,11,15H,5-7H2,1H3.
What are the key properties of 1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine?
1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine has a molecular weight of 308.23 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine is sourced from PubChem (CID 64675532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).