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

C11H15N3O2S2 — CID 2148798

IUPAC3-[(1-ethylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine
SMILESCCS(=O)(=O)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C11H15N3O2S2/c1-2-18(15,16)14-7-6-13-11(14)17-9-10-4-3-5-12-8-10/h3-5,8H,2,6-7,9H2,1H3
InChIKeyJYMATWCRVOKRPL-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.34
Rot. Bonds4

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

3-[(1-ethylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine (PubChem CID 2148798) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(1-ethylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name3-[(1-ethylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine
PubChem CID2148798
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name3-[(1-ethylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine
SMILESCCS(=O)(=O)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C11H15N3O2S2/c1-2-18(15,16)14-7-6-13-11(14)17-9-10-4-3-5-12-8-10/h3-5,8H,2,6-7,9H2,1H3
InChIKeyJYMATWCRVOKRPL-UHFFFAOYSA-N
XLogP1.34
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine?
The IUPAC name of 3-[(1-ethylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine (CID 2148798) is 3-[(1-ethylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine.
What is the SMILES notation for 3-[(1-ethylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine?
The canonical SMILES for 3-[(1-ethylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine is CCS(=O)(=O)N1CCN=C1SCc1cccnc1.
What is the InChIKey of 3-[(1-ethylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine?
The InChIKey is JYMATWCRVOKRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-2-18(15,16)14-7-6-13-11(14)17-9-10-4-3-5-12-8-10/h3-5,8H,2,6-7,9H2,1H3.
What are the key properties of 3-[(1-ethylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine?
3-[(1-ethylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine has a molecular weight of 285.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylsulfonyl-4,5-dihydroimidazol-2-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 2148798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).