N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide

C20H33N3O3S — CID 119653757

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)N(C)CC(C)(C)CN)c(C)c1
InChIInChI=1S/C20H33N3O3S/c1-14-10-15(2)18(16(3)11-14)27(25,26)23-9-7-8-17(23)19(24)22(6)13-20(4,5)12-21/h10-11,17H,7-9,12-13,21H2,1-6H3
InChIKeyFKTVDINEESHVNL-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.21
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 119653757) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID119653757
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)N(C)CC(C)(C)CN)c(C)c1
InChIInChI=1S/C20H33N3O3S/c1-14-10-15(2)18(16(3)11-14)27(25,26)23-9-7-8-17(23)19(24)22(6)13-20(4,5)12-21/h10-11,17H,7-9,12-13,21H2,1-6H3
InChIKeyFKTVDINEESHVNL-UHFFFAOYSA-N
XLogP2.21
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 119358851
ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate
CID 4737355
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 55529364
N-(3-amino-2,2-dimethylpropyl)-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 119653551
2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetic acid
CID 119171222
N-(3-aminobutyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 119496180
N-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119475729
N-(3-aminobutyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119496179
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119654596
N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18154365
N-[(2-methylphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 46517881
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 55529291

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 119653757) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)N(C)CC(C)(C)CN)c(C)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is FKTVDINEESHVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-14-10-15(2)18(16(3)11-14)27(25,26)23-9-7-8-17(23)19(24)22(6)13-20(4,5)12-21/h10-11,17H,7-9,12-13,21H2,1-6H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 395.57 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119653757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).