1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine

C12H17ClN2O2S — CID 113285287

IUPAC1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2S/c1-14-9-11-3-2-8-15(11)18(16,17)12-6-4-10(13)5-7-12/h4-7,11,14H,2-3,8-9H2,1H3
InChIKeyAIMFUIGUYISLMQ-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.71
Rot. Bonds4

About 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine

1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 113285287) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
PubChem CID113285287
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2S/c1-14-9-11-3-2-8-15(11)18(16,17)12-6-4-10(13)5-7-12/h4-7,11,14H,2-3,8-9H2,1H3
InChIKeyAIMFUIGUYISLMQ-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991254
2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 63397694
N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 115316524
N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115316522
2-chloro-4-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 124604581
4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286218
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
1-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316543
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63249776
N-methyl-1-[1-[4-(3-methylbutoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991195
2-(benzenesulfonylmethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 90585721
1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine
CID 76990864

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine (CID 113285287) is 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is AIMFUIGUYISLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-14-9-11-3-2-8-15(11)18(16,17)12-6-4-10(13)5-7-12/h4-7,11,14H,2-3,8-9H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine?
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 288.80 g/mol, XLogP of 1.71, 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-2-yl]-N-methylmethanamine is sourced from PubChem (CID 113285287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).