N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide

C13H21N3O2S — CID 63267667

IUPACN-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
SMILESCNCC1CCN(c2ccccc2S(=O)(=O)NC)C1
InChIInChI=1S/C13H21N3O2S/c1-14-9-11-7-8-16(10-11)12-5-3-4-6-13(12)19(17,18)15-2/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeyAFIGKLKNJGTZMO-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.64
Rot. Bonds5

About N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide

N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide (PubChem CID 63267667) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
PubChem CID63267667
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
SMILESCNCC1CCN(c2ccccc2S(=O)(=O)NC)C1
InChIInChI=1S/C13H21N3O2S/c1-14-9-11-7-8-16(10-11)12-5-3-4-6-13(12)19(17,18)15-2/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeyAFIGKLKNJGTZMO-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 62063614
N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 115300856
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 103976908
N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 61204074
N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115317043
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide
CID 55167908
1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62514049
[1-(2-ethylsulfonylphenyl)pyrrolidin-3-yl]methanamine
CID 62063097
1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 103480332
N-methyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide
CID 120848238
N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide
CID 63249525

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide (CID 63267667) is N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide is CNCC1CCN(c2ccccc2S(=O)(=O)NC)C1.
What is the InChIKey of N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is AFIGKLKNJGTZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-14-9-11-7-8-16(10-11)12-5-3-4-6-13(12)19(17,18)15-2/h3-6,11,14-15H,7-10H2,1-2H3.
What are the key properties of N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide?
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 63267667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).