N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine

C13H18ClNO2S — CID 83169876

IUPACN-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine
SMILESCC(NCc1c(Cl)cccc1S(C)(=O)=O)C1CC1
InChIInChI=1S/C13H18ClNO2S/c1-9(10-6-7-10)15-8-11-12(14)4-3-5-13(11)18(2,16)17/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyHIYRLWRQUFQVHE-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.63
Rot. Bonds5

About N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine

N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine (PubChem CID 83169876) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine
PubChem CID83169876
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC NameN-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine
SMILESCC(NCc1c(Cl)cccc1S(C)(=O)=O)C1CC1
InChIInChI=1S/C13H18ClNO2S/c1-9(10-6-7-10)15-8-11-12(14)4-3-5-13(11)18(2,16)17/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyHIYRLWRQUFQVHE-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine
CID 83170840
(2R)-2-[(2-chloro-6-methylsulfonylphenyl)methylamino]propan-1-ol
CID 114983164
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine
CID 83169561
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-methylpentan-3-amine
CID 83169880
(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-phenylethanamine
CID 83168346
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-3-methylpentan-2-amine
CID 83170991
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-6-methylheptan-2-amine
CID 83169673
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-4-methylpentan-1-ol
CID 83170203
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N,N-dimethylpropanamide
CID 83170987
3-chloro-2-[(1-cyclohexylethylamino)methyl]phenol
CID 79032182
3-chloro-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103768982
(1S)-N-[(2-chloro-6-nitrophenyl)methyl]-1-cyclopentylethanamine
CID 81394826

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine?
The IUPAC name of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine (CID 83169876) is N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine.
What is the SMILES notation for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine?
The canonical SMILES for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine is CC(NCc1c(Cl)cccc1S(C)(=O)=O)C1CC1.
What is the InChIKey of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine?
The InChIKey is HIYRLWRQUFQVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-9(10-6-7-10)15-8-11-12(14)4-3-5-13(11)18(2,16)17/h3-5,9-10,15H,6-8H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine?
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine has a molecular weight of 287.81 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine is sourced from PubChem (CID 83169876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).