N-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride

C20H32ClN3O3S — CID 119475729

IUPACN-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)NC2CCC(N)CC2)c(C)c1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-13-11-14(2)19(15(3)12-13)27(25,26)23-10-4-5-18(23)20(24)22-17-8-6-16(21)7-9-17;/h11-12,16-18H,4-10,21H2,1-3H3,(H,22,24);1H
InChIKeyFLFGUVABQKHVAM-UHFFFAOYSA-N
MW430.01 g/mol
LogP2.57
Rot. Bonds4

About N-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119475729) has the molecular formula C20H32ClN3O3S and a molecular weight of 430.01 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119475729
Molecular FormulaC20H32ClN3O3S
Molecular Weight430.01 g/mol
Exact Mass429.19
IUPAC NameN-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)NC2CCC(N)CC2)c(C)c1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-13-11-14(2)19(15(3)12-13)27(25,26)23-10-4-5-18(23)20(24)22-17-8-6-16(21)7-9-17;/h11-12,16-18H,4-10,21H2,1-3H3,(H,22,24);1H
InChIKeyFLFGUVABQKHVAM-UHFFFAOYSA-N
XLogP2.57
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.01
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-oxo-2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
CID 55800250
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;hydrochloride
CID 119496179
N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18154365
N-(3-aminobutyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 119496180
[3-(methylamino)piperidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 119489304
N-cyclopropyl-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 42955237
N-(5-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 46517734
N-[(2-methylphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 46517881
N-(5-methyl-2-pyridinyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55523063
N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3152152
ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate
CID 4737355

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride (CID 119475729) is N-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride is Cc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)NC2CCC(N)CC2)c(C)c1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is FLFGUVABQKHVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S.ClH/c1-13-11-14(2)19(15(3)12-13)27(25,26)23-10-4-5-18(23)20(24)22-17-8-6-16(21)7-9-17;/h11-12,16-18H,4-10,21H2,1-3H3,(H,22,24);1H.
What are the key properties of N-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 430.01 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119475729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).