N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide

C11H15N3O2S — CID 60814632

IUPACN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C#CCN)n1
InChIInChI=1S/C11H15N3O2S/c1-2-9-17(15,16)14-11-7-3-5-10(13-11)6-4-8-12/h3,5,7H,2,8-9,12H2,1H3,(H,13,14)
InChIKeyLZMWWPXTCUFEEH-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.54
Rot. Bonds4

About N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide (PubChem CID 60814632) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide
PubChem CID60814632
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C#CCN)n1
InChIInChI=1S/C11H15N3O2S/c1-2-9-17(15,16)14-11-7-3-5-10(13-11)6-4-8-12/h3,5,7H,2,8-9,12H2,1H3,(H,13,14)
InChIKeyLZMWWPXTCUFEEH-UHFFFAOYSA-N
XLogP0.54
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide (CID 60814632) is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(C#CCN)n1.
What is the InChIKey of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide?
The InChIKey is LZMWWPXTCUFEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-2-9-17(15,16)14-11-7-3-5-10(13-11)6-4-8-12/h3,5,7H,2,8-9,12H2,1H3,(H,13,14).
What are the key properties of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide?
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide has a molecular weight of 253.33 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 60814632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).