3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol

C11H15N3O3S — CID 114811711

IUPAC3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol
SMILESCC(C)NS(=O)(=O)Nc1cccc(C#CCO)n1
InChIInChI=1S/C11H15N3O3S/c1-9(2)13-18(16,17)14-11-7-3-5-10(12-11)6-4-8-15/h3,5,7,9,13,15H,8H2,1-2H3,(H,12,14)
InChIKeyOHPFNEUIDCYNAU-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.08
Rot. Bonds4

About 3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol

3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol (PubChem CID 114811711) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol
PubChem CID114811711
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol
SMILESCC(C)NS(=O)(=O)Nc1cccc(C#CCO)n1
InChIInChI=1S/C11H15N3O3S/c1-9(2)13-18(16,17)14-11-7-3-5-10(12-11)6-4-8-15/h3,5,7,9,13,15H,8H2,1-2H3,(H,12,14)
InChIKeyOHPFNEUIDCYNAU-UHFFFAOYSA-N
XLogP0.08
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.08
H-Bond Donors ≤ 53
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 3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol?
The IUPAC name of 3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol (CID 114811711) is 3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol is CC(C)NS(=O)(=O)Nc1cccc(C#CCO)n1.
What is the InChIKey of 3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol?
The InChIKey is OHPFNEUIDCYNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-9(2)13-18(16,17)14-11-7-3-5-10(12-11)6-4-8-15/h3,5,7,9,13,15H,8H2,1-2H3,(H,12,14).
What are the key properties of 3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol?
3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol has a molecular weight of 269.33 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(propan-2-ylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol is sourced from PubChem (CID 114811711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).