1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

C12H17ClN2O2S — CID 55168097

IUPAC1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H17ClN2O2S/c1-14-8-10-6-7-15(9-10)18(16,17)12-4-2-11(13)3-5-12/h2-5,10,14H,6-9H2,1H3
InChIKeyZAZYHAUJWKKGPL-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.57
Rot. Bonds4

About 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 55168097) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID55168097
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H17ClN2O2S/c1-14-8-10-6-7-15(9-10)18(16,17)12-4-2-11(13)3-5-12/h2-5,10,14H,6-9H2,1H3
InChIKeyZAZYHAUJWKKGPL-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264060
1-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264275
1-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977516
1-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977924
N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977456
3-(bromomethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 80675042
1-[1-(4-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263879
1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745
[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971833
methyl 4-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119977610
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 63264368
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61204741

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine (CID 55168097) is 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is ZAZYHAUJWKKGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-14-8-10-6-7-15(9-10)18(16,17)12-4-2-11(13)3-5-12/h2-5,10,14H,6-9H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 288.80 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 55168097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).