(NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide

C13H19N3O2S — CID 13373549

IUPAC(NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide
SMILESCCCN1CCCC/C1=N\S(=O)(=O)c1cccnc1
InChIInChI=1S/C13H19N3O2S/c1-2-9-16-10-4-3-7-13(16)15-19(17,18)12-6-5-8-14-11-12/h5-6,8,11H,2-4,7,9-10H2,1H3/b15-13+
InChIKeyNABLNNUSRGYDKL-FYWRMAATSA-N
MW281.38 g/mol
LogP2.06
Rot. Bonds4

About (NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide

(NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide (PubChem CID 13373549) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is (NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide.

Molecular Properties

Compound Name(NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide
PubChem CID13373549
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name(NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide
SMILESCCCN1CCCC/C1=N\S(=O)(=O)c1cccnc1
InChIInChI=1S/C13H19N3O2S/c1-2-9-16-10-4-3-7-13(16)15-19(17,18)12-6-5-8-14-11-12/h5-6,8,11H,2-4,7,9-10H2,1H3/b15-13+
InChIKeyNABLNNUSRGYDKL-FYWRMAATSA-N
XLogP2.06
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide?
The IUPAC name of (NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide (CID 13373549) is (NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide.
What is the SMILES notation for (NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide?
The canonical SMILES for (NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide is CCCN1CCCC/C1=N\S(=O)(=O)c1cccnc1.
What is the InChIKey of (NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide?
The InChIKey is NABLNNUSRGYDKL-FYWRMAATSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-2-9-16-10-4-3-7-13(16)15-19(17,18)12-6-5-8-14-11-12/h5-6,8,11H,2-4,7,9-10H2,1H3/b15-13+.
What are the key properties of (NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide?
(NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide has a molecular weight of 281.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide is sourced from PubChem (CID 13373549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).