5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide

C14H23N3O2S2 — CID 106084462

IUPAC5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NC2CCSCC2)nc1
InChIInChI=1S/C14H23N3O2S2/c1-2-7-15-10-12-3-4-14(16-11-12)21(18,19)17-13-5-8-20-9-6-13/h3-4,11,13,15,17H,2,5-10H2,1H3
InChIKeyTWWWRGLUMYWMRD-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.76
Rot. Bonds7

About 5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide

5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide (PubChem CID 106084462) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide
PubChem CID106084462
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NC2CCSCC2)nc1
InChIInChI=1S/C14H23N3O2S2/c1-2-7-15-10-12-3-4-14(16-11-12)21(18,19)17-13-5-8-20-9-6-13/h3-4,11,13,15,17H,2,5-10H2,1H3
InChIKeyTWWWRGLUMYWMRD-UHFFFAOYSA-N
XLogP1.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.76
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

N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106058846
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide
CID 106017285
2-bromo-4-(propylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086331
5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084377
N-(3-methylsulfanylbutyl)-5-(propylaminomethyl)pyridine-2-sulfonamide
CID 106082285
5-(propylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
CID 106013375
N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide
CID 82749058
4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide
CID 106086339
5-(aminomethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114552024
5-(hydroxymethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114551682
N-(1-cyclobutylethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
CID 106084753
5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide
CID 106031617

Frequently Asked Questions

What is the IUPAC name of 5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide?
The IUPAC name of 5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide (CID 106084462) is 5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide is CCCNCc1ccc(S(=O)(=O)NC2CCSCC2)nc1.
What is the InChIKey of 5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide?
The InChIKey is TWWWRGLUMYWMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-2-7-15-10-12-3-4-14(16-11-12)21(18,19)17-13-5-8-20-9-6-13/h3-4,11,13,15,17H,2,5-10H2,1H3.
What are the key properties of 5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide?
5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide has a molecular weight of 329.49 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 106084462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).