3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine

C14H19N3O2S — CID 63218959

IUPAC3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine
SMILESCC1(C)CCCN1S(=O)(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C14H19N3O2S/c1-14(2)6-4-8-17(14)20(18,19)13-9-12(5-3-7-15)10-16-11-13/h9-11H,4,6-8,15H2,1-2H3
InChIKeyLHCSGACMQCHBEE-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.95
Rot. Bonds2

About 3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine

3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine (PubChem CID 63218959) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine
PubChem CID63218959
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine
SMILESCC1(C)CCCN1S(=O)(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C14H19N3O2S/c1-14(2)6-4-8-17(14)20(18,19)13-9-12(5-3-7-15)10-16-11-13/h9-11H,4,6-8,15H2,1-2H3
InChIKeyLHCSGACMQCHBEE-UHFFFAOYSA-N
XLogP0.95
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine?
The IUPAC name of 3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine (CID 63218959) is 3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine is CC1(C)CCCN1S(=O)(=O)c1cncc(C#CCN)c1.
What is the InChIKey of 3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine?
The InChIKey is LHCSGACMQCHBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-14(2)6-4-8-17(14)20(18,19)13-9-12(5-3-7-15)10-16-11-13/h9-11H,4,6-8,15H2,1-2H3.
What are the key properties of 3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine?
3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine has a molecular weight of 293.39 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-pyridinyl]prop-2-yn-1-amine is sourced from PubChem (CID 63218959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).