6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide

C14H24N4O2S — CID 103341466

IUPAC6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2CCCN)nc1
InChIInChI=1S/C14H24N4O2S/c1-17(2)21(19,20)13-7-8-14(16-11-13)18-10-4-6-12(18)5-3-9-15/h7-8,11-12H,3-6,9-10,15H2,1-2H3
InChIKeyZPCUAEJXYMSCBZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.04
Rot. Bonds6

About 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide

6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103341466) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103341466
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2CCCN)nc1
InChIInChI=1S/C14H24N4O2S/c1-17(2)21(19,20)13-7-8-14(16-11-13)18-10-4-6-12(18)5-3-9-15/h7-8,11-12H,3-6,9-10,15H2,1-2H3
InChIKeyZPCUAEJXYMSCBZ-UHFFFAOYSA-N
XLogP1.04
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide (CID 103341466) is 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(N2CCCC2CCCN)nc1.
What is the InChIKey of 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is ZPCUAEJXYMSCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-17(2)21(19,20)13-7-8-14(16-11-13)18-10-4-6-12(18)5-3-9-15/h7-8,11-12H,3-6,9-10,15H2,1-2H3.
What are the key properties of 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide?
6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103341466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).