6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide

C11H17N3O2S — CID 98016686

IUPAC6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(C)C)nc1
InChIInChI=1S/C11H17N3O2S/c1-4-7-13-17(15,16)10-5-6-11(12-8-10)14-9(2)3/h4-6,8-9,13H,1,7H2,2-3H3,(H,12,14)
InChIKeyCJQGIDFKDOCIPB-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.37
Rot. Bonds6

About 6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide

6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide (PubChem CID 98016686) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide
PubChem CID98016686
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(C)C)nc1
InChIInChI=1S/C11H17N3O2S/c1-4-7-13-17(15,16)10-5-6-11(12-8-10)14-9(2)3/h4-6,8-9,13H,1,7H2,2-3H3,(H,12,14)
InChIKeyCJQGIDFKDOCIPB-UHFFFAOYSA-N
XLogP1.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide?
The IUPAC name of 6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide (CID 98016686) is 6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide?
The canonical SMILES for 6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide is C=CCNS(=O)(=O)c1ccc(NC(C)C)nc1.
What is the InChIKey of 6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide?
The InChIKey is CJQGIDFKDOCIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-4-7-13-17(15,16)10-5-6-11(12-8-10)14-9(2)3/h4-6,8-9,13H,1,7H2,2-3H3,(H,12,14).
What are the key properties of 6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide?
6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide is sourced from PubChem (CID 98016686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).