3-[(1-propylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine

C12H17N3O2S2 — CID 2148800

IUPAC3-[(1-propylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine
SMILESCCCS(=O)(=O)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C12H17N3O2S2/c1-2-8-19(16,17)15-7-6-14-12(15)18-10-11-4-3-5-13-9-11/h3-5,9H,2,6-8,10H2,1H3
InChIKeyMZWSECKZNYOHGO-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.73
Rot. Bonds5

About 3-[(1-propylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine

3-[(1-propylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine (PubChem CID 2148800) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[(1-propylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name3-[(1-propylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine
PubChem CID2148800
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name3-[(1-propylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine
SMILESCCCS(=O)(=O)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C12H17N3O2S2/c1-2-8-19(16,17)15-7-6-14-12(15)18-10-11-4-3-5-13-9-11/h3-5,9H,2,6-8,10H2,1H3
InChIKeyMZWSECKZNYOHGO-UHFFFAOYSA-N
XLogP1.73
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-propylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine?
The IUPAC name of 3-[(1-propylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine (CID 2148800) is 3-[(1-propylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine.
What is the SMILES notation for 3-[(1-propylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine?
The canonical SMILES for 3-[(1-propylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine is CCCS(=O)(=O)N1CCN=C1SCc1cccnc1.
What is the InChIKey of 3-[(1-propylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine?
The InChIKey is MZWSECKZNYOHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-2-8-19(16,17)15-7-6-14-12(15)18-10-11-4-3-5-13-9-11/h3-5,9H,2,6-8,10H2,1H3.
What are the key properties of 3-[(1-propylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine?
3-[(1-propylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine has a molecular weight of 299.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 2148800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).