N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine

C12H15Cl3N2O2S — CID 115316522

IUPACN-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O2S/c1-16-7-9-3-2-4-17(9)20(18,19)12-10(14)5-8(13)6-11(12)15/h5-6,9,16H,2-4,7H2,1H3
InChIKeyWITALDDIXOQGKY-UHFFFAOYSA-N
MW357.69 g/mol
LogP3.02
Rot. Bonds4

About N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine

N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 115316522) has the molecular formula C12H15Cl3N2O2S and a molecular weight of 357.69 g/mol. Its IUPAC name is N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
PubChem CID115316522
Molecular FormulaC12H15Cl3N2O2S
Molecular Weight357.69 g/mol
Exact Mass355.99
IUPAC NameN-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O2S/c1-16-7-9-3-2-4-17(9)20(18,19)12-10(14)5-8(13)6-11(12)15/h5-6,9,16H,2-4,7H2,1H3
InChIKeyWITALDDIXOQGKY-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.69
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991169
1-[1-[(3,5-dichlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 119990947
2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine
CID 58733463
N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 63249919
1-[1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119990928
1-[1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 120712128
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119990950
1-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316543
1-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120712181
1-[(2S)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574941
2-chloro-4-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 124604581

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine (CID 115316522) is N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine is CNCC1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is WITALDDIXOQGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2O2S/c1-16-7-9-3-2-4-17(9)20(18,19)12-10(14)5-8(13)6-11(12)15/h5-6,9,16H,2-4,7H2,1H3.
What are the key properties of N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 357.69 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115316522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).