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

C16H17N3O2S2 — CID 2148804

IUPAC3-[[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCN=C2SCc2cccnc2)cc1
InChIInChI=1S/C16H17N3O2S2/c1-13-4-6-15(7-5-13)23(20,21)19-10-9-18-16(19)22-12-14-3-2-8-17-11-14/h2-8,11H,9-10,12H2,1H3
InChIKeyGVSTYNSGSYOUEV-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.68
Rot. Bonds4

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

3-[[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine (PubChem CID 2148804) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 3-[[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine.

Molecular Properties

Compound Name3-[[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine
PubChem CID2148804
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC Name3-[[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCN=C2SCc2cccnc2)cc1
InChIInChI=1S/C16H17N3O2S2/c1-13-4-6-15(7-5-13)23(20,21)19-10-9-18-16(19)22-12-14-3-2-8-17-11-14/h2-8,11H,9-10,12H2,1H3
InChIKeyGVSTYNSGSYOUEV-UHFFFAOYSA-N
XLogP2.68
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine?
The IUPAC name of 3-[[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine (CID 2148804) is 3-[[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine.
What is the SMILES notation for 3-[[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine?
The canonical SMILES for 3-[[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine is Cc1ccc(S(=O)(=O)N2CCN=C2SCc2cccnc2)cc1.
What is the InChIKey of 3-[[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine?
The InChIKey is GVSTYNSGSYOUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-13-4-6-15(7-5-13)23(20,21)19-10-9-18-16(19)22-12-14-3-2-8-17-11-14/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 3-[[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine?
3-[[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine has a molecular weight of 347.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine is sourced from PubChem (CID 2148804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).