[3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride

C20H32ClN3O3S — CID 119489304

IUPAC[3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)C2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)C1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-14-11-15(2)19(16(3)12-14)27(25,26)23-10-6-8-18(23)20(24)22-9-5-7-17(13-22)21-4;/h11-12,17-18,21H,5-10,13H2,1-4H3;1H
InChIKeyVIKSOHRECYQFME-UHFFFAOYSA-N
MW430.01 g/mol
LogP2.40
Rot. Bonds4

About [3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride

[3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride (PubChem CID 119489304) has the molecular formula C20H32ClN3O3S and a molecular weight of 430.01 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
PubChem CID119489304
Molecular FormulaC20H32ClN3O3S
Molecular Weight430.01 g/mol
Exact Mass429.19
IUPAC Name[3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)C2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)C1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-14-11-15(2)19(16(3)12-14)27(25,26)23-10-6-8-18(23)20(24)22-9-5-7-17(13-22)21-4;/h11-12,17-18,21H,5-10,13H2,1-4H3;1H
InChIKeyVIKSOHRECYQFME-UHFFFAOYSA-N
XLogP2.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.01
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride with MolForge

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Related Compounds

(3-anilinopyrrolidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 56580875
1,4-diazepan-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 119415431
N-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
CID 55800250
N-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119475729
N-(5-methyl-2-pyridinyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55523063
N-(5-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 46517734
[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 55971446
[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 112810098
2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetic acid
CID 119171222
(1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488511
N-(3-aminobutyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119496179
N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18154365

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride (CID 119489304) is [3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride is CNC1CCCN(C(=O)C2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)C1.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride?
The InChIKey is VIKSOHRECYQFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S.ClH/c1-14-11-15(2)19(16(3)12-14)27(25,26)23-10-6-8-18(23)20(24)22-9-5-7-17(13-22)21-4;/h11-12,17-18,21H,5-10,13H2,1-4H3;1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride?
[3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride has a molecular weight of 430.01 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119489304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).