N-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine

C14H22N2O2S — CID 54882434

IUPACN-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
SMILESCNC(C)c1ccc(S(=O)(=O)N2CCCC2C)cc1
InChIInChI=1S/C14H22N2O2S/c1-11-5-4-10-16(11)19(17,18)14-8-6-13(7-9-14)12(2)15-3/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyDTFILYPAPBKFNW-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.14
Rot. Bonds4

About N-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine

N-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine (PubChem CID 54882434) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
PubChem CID54882434
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
SMILESCNC(C)c1ccc(S(=O)(=O)N2CCCC2C)cc1
InChIInChI=1S/C14H22N2O2S/c1-11-5-4-10-16(11)19(17,18)14-8-6-13(7-9-14)12(2)15-3/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyDTFILYPAPBKFNW-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine
CID 43506697
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione
CID 110728255
(2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine
CID 59100261
N-[2-(methylamino)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120832996
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 54882423
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol
CID 54882754
2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 138998214
N'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide
CID 144713635

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine?
The IUPAC name of N-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine (CID 54882434) is N-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine is CNC(C)c1ccc(S(=O)(=O)N2CCCC2C)cc1.
What is the InChIKey of N-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine?
The InChIKey is DTFILYPAPBKFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-5-4-10-16(11)19(17,18)14-8-6-13(7-9-14)12(2)15-3/h6-9,11-12,15H,4-5,10H2,1-3H3.
What are the key properties of N-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine?
N-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine has a molecular weight of 282.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine is sourced from PubChem (CID 54882434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).