N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide

C13H21N3O2S — CID 115317043

IUPACN-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
SMILESCNCC1CCCN1c1ccccc1S(=O)(=O)NC
InChIInChI=1S/C13H21N3O2S/c1-14-10-11-6-5-9-16(11)12-7-3-4-8-13(12)19(17,18)15-2/h3-4,7-8,11,14-15H,5-6,9-10H2,1-2H3
InChIKeyDHYGCTYGOLRYOF-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.78
Rot. Bonds5

About N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide

N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide (PubChem CID 115317043) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
PubChem CID115317043
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
SMILESCNCC1CCCN1c1ccccc1S(=O)(=O)NC
InChIInChI=1S/C13H21N3O2S/c1-14-10-11-6-5-9-16(11)12-7-3-4-8-13(12)19(17,18)15-2/h3-4,7-8,11,14-15H,5-6,9-10H2,1-2H3
InChIKeyDHYGCTYGOLRYOF-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 63855104
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
methyl 1-[2-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxylate
CID 62006621
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide
CID 103353710
2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 154769258
2-(bromomethyl)-1-(2-ethylsulfonylphenyl)pyrrolidine
CID 80667738
N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 115300856
2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 61409798
2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile
CID 55167783
2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide
CID 63767418
1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316542
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 62063614

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide (CID 115317043) is N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide is CNCC1CCCN1c1ccccc1S(=O)(=O)NC.
What is the InChIKey of N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is DHYGCTYGOLRYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-14-10-11-6-5-9-16(11)12-7-3-4-8-13(12)19(17,18)15-2/h3-4,7-8,11,14-15H,5-6,9-10H2,1-2H3.
What are the key properties of N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide?
N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 115317043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).