6-[3-(5,5-dimethylpyrrolidin-3-yl)propyl-methylamino]pyridine-2-sulfonamide

C15H26N4O2S — CID 139416607

IUPAC6-[3-(5,5-dimethylpyrrolidin-3-yl)propyl-methylamino]pyridine-2-sulfonamide
SMILESCN(CCCC1CNC(C)(C)C1)c1cccc(S(N)(=O)=O)n1
InChIInChI=1S/C15H26N4O2S/c1-15(2)10-12(11-17-15)6-5-9-19(3)13-7-4-8-14(18-13)22(16,20)21/h4,7-8,12,17H,5-6,9-11H2,1-3H3,(H2,16,20,21)
InChIKeyBLLHVZYBGVIIIE-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.33
Rot. Bonds6

About 6-[3-(5,5-dimethylpyrrolidin-3-yl)propyl-methylamino]pyridine-2-sulfonamide

6-[3-(5,5-dimethylpyrrolidin-3-yl)propyl-methylamino]pyridine-2-sulfonamide (PubChem CID 139416607) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 6-[3-(5,5-dimethylpyrrolidin-3-yl)propyl-methylamino]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-[3-(5,5-dimethylpyrrolidin-3-yl)propyl-methylamino]pyridine-2-sulfonamide
PubChem CID139416607
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name6-[3-(5,5-dimethylpyrrolidin-3-yl)propyl-methylamino]pyridine-2-sulfonamide
SMILESCN(CCCC1CNC(C)(C)C1)c1cccc(S(N)(=O)=O)n1
InChIInChI=1S/C15H26N4O2S/c1-15(2)10-12(11-17-15)6-5-9-19(3)13-7-4-8-14(18-13)22(16,20)21/h4,7-8,12,17H,5-6,9-11H2,1-3H3,(H2,16,20,21)
InChIKeyBLLHVZYBGVIIIE-UHFFFAOYSA-N
XLogP1.33
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(5,5-dimethylpyrrolidin-3-yl)propyl-methylamino]pyridine-2-sulfonamide?
The IUPAC name of 6-[3-(5,5-dimethylpyrrolidin-3-yl)propyl-methylamino]pyridine-2-sulfonamide (CID 139416607) is 6-[3-(5,5-dimethylpyrrolidin-3-yl)propyl-methylamino]pyridine-2-sulfonamide.
What is the SMILES notation for 6-[3-(5,5-dimethylpyrrolidin-3-yl)propyl-methylamino]pyridine-2-sulfonamide?
The canonical SMILES for 6-[3-(5,5-dimethylpyrrolidin-3-yl)propyl-methylamino]pyridine-2-sulfonamide is CN(CCCC1CNC(C)(C)C1)c1cccc(S(N)(=O)=O)n1.
What is the InChIKey of 6-[3-(5,5-dimethylpyrrolidin-3-yl)propyl-methylamino]pyridine-2-sulfonamide?
The InChIKey is BLLHVZYBGVIIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-15(2)10-12(11-17-15)6-5-9-19(3)13-7-4-8-14(18-13)22(16,20)21/h4,7-8,12,17H,5-6,9-11H2,1-3H3,(H2,16,20,21).
What are the key properties of 6-[3-(5,5-dimethylpyrrolidin-3-yl)propyl-methylamino]pyridine-2-sulfonamide?
6-[3-(5,5-dimethylpyrrolidin-3-yl)propyl-methylamino]pyridine-2-sulfonamide has a molecular weight of 326.47 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5,5-dimethylpyrrolidin-3-yl)propyl-methylamino]pyridine-2-sulfonamide is sourced from PubChem (CID 139416607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).