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

C12H19N3O2S — CID 115300856

IUPACN-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide
SMILESCNC1CCN(c2ccccc2S(=O)(=O)NC)C1
InChIInChI=1S/C12H19N3O2S/c1-13-10-7-8-15(9-10)11-5-3-4-6-12(11)18(16,17)14-2/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyYGCWUZYYRMZACN-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.39
Rot. Bonds4

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

N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide (PubChem CID 115300856) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide
PubChem CID115300856
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide
SMILESCNC1CCN(c2ccccc2S(=O)(=O)NC)C1
InChIInChI=1S/C12H19N3O2S/c1-13-10-7-8-15(9-10)11-5-3-4-6-12(11)18(16,17)14-2/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyYGCWUZYYRMZACN-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide (CID 115300856) is N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide is CNC1CCN(c2ccccc2S(=O)(=O)NC)C1.
What is the InChIKey of N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is YGCWUZYYRMZACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-13-10-7-8-15(9-10)11-5-3-4-6-12(11)18(16,17)14-2/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide?
N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 115300856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).