3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride

C19H31ClN4O3S — CID 120810322

IUPAC3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCC(C)(CN)C2)c1.Cl
InChIInChI=1S/C19H30N4O3S.ClH/c1-19(13-20)8-11-23(14-19)18(24)16-12-15(27(25,26)21(2)3)6-7-17(16)22-9-4-5-10-22;/h6-7,12H,4-5,8-11,13-14,20H2,1-3H3;1H
InChIKeyIVCVKHJLCZPKSQ-UHFFFAOYSA-N
MW431.00 g/mol
LogP1.77
Rot. Bonds5

About 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride

3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride (PubChem CID 120810322) has the molecular formula C19H31ClN4O3S and a molecular weight of 431.00 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride
PubChem CID120810322
Molecular FormulaC19H31ClN4O3S
Molecular Weight431.00 g/mol
Exact Mass430.18
IUPAC Name3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCC(C)(CN)C2)c1.Cl
InChIInChI=1S/C19H30N4O3S.ClH/c1-19(13-20)8-11-23(14-19)18(24)16-12-15(27(25,26)21(2)3)6-7-17(16)22-9-4-5-10-22;/h6-7,12H,4-5,8-11,13-14,20H2,1-3H3;1H
InChIKeyIVCVKHJLCZPKSQ-UHFFFAOYSA-N
XLogP1.77
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.00
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride with MolForge

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Related Compounds

3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55901778
N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide
CID 39969807
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanone;dihydrochloride
CID 120807046
3-(4-but-3-ynylpiperazine-1-carbonyl)-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 86875946
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 51149690
2-oxopropyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 29200680
2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide
CID 120807309
N,N-dimethyl-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55978794
N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 119617620
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 120808641

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride (CID 120810322) is 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride is CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCC(C)(CN)C2)c1.Cl.
What is the InChIKey of 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride?
The InChIKey is IVCVKHJLCZPKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S.ClH/c1-19(13-20)8-11-23(14-19)18(24)16-12-15(27(25,26)21(2)3)6-7-17(16)22-9-4-5-10-22;/h6-7,12H,4-5,8-11,13-14,20H2,1-3H3;1H.
What are the key properties of 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride?
3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride has a molecular weight of 431.00 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120810322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).