5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide

C14H19N3O3S — CID 82729501

IUPAC5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C14H19N3O3S/c1-11-14(5-7-20-11)17(2)21(18,19)13-8-12(4-3-6-15)9-16-10-13/h8-11,14H,5-7,15H2,1-2H3
InChIKeyMOFMSZONLSJSMF-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.19
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide

5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide (PubChem CID 82729501) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
PubChem CID82729501
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C14H19N3O3S/c1-11-14(5-7-20-11)17(2)21(18,19)13-8-12(4-3-6-15)9-16-10-13/h8-11,14H,5-7,15H2,1-2H3
InChIKeyMOFMSZONLSJSMF-UHFFFAOYSA-N
XLogP0.19
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide (CID 82729501) is 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide is CC1OCCC1N(C)S(=O)(=O)c1cncc(C#CCN)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide?
The InChIKey is MOFMSZONLSJSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-11-14(5-7-20-11)17(2)21(18,19)13-8-12(4-3-6-15)9-16-10-13/h8-11,14H,5-7,15H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide?
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 82729501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).