2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide

C13H22N4O2S — CID 106594474

IUPAC2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
SMILESNCc1ncccc1S(=O)(=O)NCCCN1CCCC1
InChIInChI=1S/C13H22N4O2S/c14-11-12-13(5-3-6-15-12)20(18,19)16-7-4-10-17-8-1-2-9-17/h3,5-6,16H,1-2,4,7-11,14H2
InChIKeyRYVRAZYGCKSYHD-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.30
Rot. Bonds7

About 2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide

2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide (PubChem CID 106594474) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
PubChem CID106594474
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
SMILESNCc1ncccc1S(=O)(=O)NCCCN1CCCC1
InChIInChI=1S/C13H22N4O2S/c14-11-12-13(5-3-6-15-12)20(18,19)16-7-4-10-17-8-1-2-9-17/h3,5-6,16H,1-2,4,7-11,14H2
InChIKeyRYVRAZYGCKSYHD-UHFFFAOYSA-N
XLogP0.30
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide
CID 106594289
2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
CID 107163426
(3-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methanamine
CID 106593652
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 106594742
2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 78843443
2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 43415001
2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide
CID 106594162
4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62989950
2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 106593983
2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide
CID 106594268
4-(aminomethyl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106996929
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 106594462

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide (CID 106594474) is 2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide is NCc1ncccc1S(=O)(=O)NCCCN1CCCC1.
What is the InChIKey of 2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide?
The InChIKey is RYVRAZYGCKSYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c14-11-12-13(5-3-6-15-12)20(18,19)16-7-4-10-17-8-1-2-9-17/h3,5-6,16H,1-2,4,7-11,14H2.
What are the key properties of 2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide?
2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106594474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).