N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine

C20H33N3O2S — CID 130288052

IUPACN-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCC2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C20H33N3O2S/c1-3-21-18-9-13-22(14-10-18)15-11-19-7-5-12-23(19)26(24,25)20-8-4-6-17(2)16-20/h4,6,8,16,18-19,21H,3,5,7,9-15H2,1-2H3
InChIKeyJJLUXUMHWUEFIQ-UHFFFAOYSA-N
MW379.57 g/mol
LogP2.61
Rot. Bonds7

About N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine

N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine (PubChem CID 130288052) has the molecular formula C20H33N3O2S and a molecular weight of 379.57 g/mol. Its IUPAC name is N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine
PubChem CID130288052
Molecular FormulaC20H33N3O2S
Molecular Weight379.57 g/mol
Exact Mass379.23
IUPAC NameN-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCC2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C20H33N3O2S/c1-3-21-18-9-13-22(14-10-18)15-11-19-7-5-12-23(19)26(24,25)20-8-4-6-17(2)16-20/h4,6,8,16,18-19,21H,3,5,7,9-15H2,1-2H3
InChIKeyJJLUXUMHWUEFIQ-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879819
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
1-[2-[(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 10499156
1-(3-methylphenyl)sulfonyl-2-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]piperidine
CID 123679283
1-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546629
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
2-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80676500
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 63880338
2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110871844
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704
1-[2-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 53361019

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine?
The IUPAC name of N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine (CID 130288052) is N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine is CCNC1CCN(CCC2CCCN2S(=O)(=O)c2cccc(C)c2)CC1.
What is the InChIKey of N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine?
The InChIKey is JJLUXUMHWUEFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2S/c1-3-21-18-9-13-22(14-10-18)15-11-19-7-5-12-23(19)26(24,25)20-8-4-6-17(2)16-20/h4,6,8,16,18-19,21H,3,5,7,9-15H2,1-2H3.
What are the key properties of N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine?
N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine has a molecular weight of 379.57 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidin-4-amine is sourced from PubChem (CID 130288052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).