2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide

C17H22N4O2S — CID 154740686

IUPAC2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1NCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H22N4O2S/c18-24(22,23)16-7-4-9-19-17(16)20-11-15-8-10-21(13-15)12-14-5-2-1-3-6-14/h1-7,9,15H,8,10-13H2,(H,19,20)(H2,18,22,23)
InChIKeyWFKJPIKBIRMMAY-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.66
Rot. Bonds6

About 2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide

2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide (PubChem CID 154740686) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide
PubChem CID154740686
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1NCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H22N4O2S/c18-24(22,23)16-7-4-9-19-17(16)20-11-15-8-10-21(13-15)12-14-5-2-1-3-6-14/h1-7,9,15H,8,10-13H2,(H,19,20)(H2,18,22,23)
InChIKeyWFKJPIKBIRMMAY-UHFFFAOYSA-N
XLogP1.66
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
CID 133453551
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
N-[(1-benzylpiperidin-3-yl)methyl]pyrrolo[1,2-a]pyrazin-1-amine
CID 166362988
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 95144802
8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline
CID 162034784
N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595693
2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide
CID 133351386
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide?
The IUPAC name of 2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide (CID 154740686) is 2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide?
The canonical SMILES for 2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide is NS(=O)(=O)c1cccnc1NCC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide?
The InChIKey is WFKJPIKBIRMMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c18-24(22,23)16-7-4-9-19-17(16)20-11-15-8-10-21(13-15)12-14-5-2-1-3-6-14/h1-7,9,15H,8,10-13H2,(H,19,20)(H2,18,22,23).
What are the key properties of 2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide?
2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide has a molecular weight of 346.46 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 154740686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).