2-[[1,5-di(propan-2-yl)imidazol-2-yl]sulfonylmethyl]-6-methoxypyridine

C16H23N3O3S — CID 75523988

IUPAC2-[[1,5-di(propan-2-yl)imidazol-2-yl]sulfonylmethyl]-6-methoxypyridine
SMILESCOc1cccc(CS(=O)(=O)c2ncc(C(C)C)n2C(C)C)n1
InChIInChI=1S/C16H23N3O3S/c1-11(2)14-9-17-16(19(14)12(3)4)23(20,21)10-13-7-6-8-15(18-13)22-5/h6-9,11-12H,10H2,1-5H3
InChIKeyGCPVOWCPRKUMBP-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.96
Rot. Bonds6

About 2-[[1,5-di(propan-2-yl)imidazol-2-yl]sulfonylmethyl]-6-methoxypyridine

2-[[1,5-di(propan-2-yl)imidazol-2-yl]sulfonylmethyl]-6-methoxypyridine (PubChem CID 75523988) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[[1,5-di(propan-2-yl)imidazol-2-yl]sulfonylmethyl]-6-methoxypyridine.

Molecular Properties

Compound Name2-[[1,5-di(propan-2-yl)imidazol-2-yl]sulfonylmethyl]-6-methoxypyridine
PubChem CID75523988
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name2-[[1,5-di(propan-2-yl)imidazol-2-yl]sulfonylmethyl]-6-methoxypyridine
SMILESCOc1cccc(CS(=O)(=O)c2ncc(C(C)C)n2C(C)C)n1
InChIInChI=1S/C16H23N3O3S/c1-11(2)14-9-17-16(19(14)12(3)4)23(20,21)10-13-7-6-8-15(18-13)22-5/h6-9,11-12H,10H2,1-5H3
InChIKeyGCPVOWCPRKUMBP-UHFFFAOYSA-N
XLogP2.96
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1,5-di(propan-2-yl)imidazol-2-yl]sulfonylmethyl]-6-methoxypyridine?
The IUPAC name of 2-[[1,5-di(propan-2-yl)imidazol-2-yl]sulfonylmethyl]-6-methoxypyridine (CID 75523988) is 2-[[1,5-di(propan-2-yl)imidazol-2-yl]sulfonylmethyl]-6-methoxypyridine.
What is the SMILES notation for 2-[[1,5-di(propan-2-yl)imidazol-2-yl]sulfonylmethyl]-6-methoxypyridine?
The canonical SMILES for 2-[[1,5-di(propan-2-yl)imidazol-2-yl]sulfonylmethyl]-6-methoxypyridine is COc1cccc(CS(=O)(=O)c2ncc(C(C)C)n2C(C)C)n1.
What is the InChIKey of 2-[[1,5-di(propan-2-yl)imidazol-2-yl]sulfonylmethyl]-6-methoxypyridine?
The InChIKey is GCPVOWCPRKUMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-11(2)14-9-17-16(19(14)12(3)4)23(20,21)10-13-7-6-8-15(18-13)22-5/h6-9,11-12H,10H2,1-5H3.
What are the key properties of 2-[[1,5-di(propan-2-yl)imidazol-2-yl]sulfonylmethyl]-6-methoxypyridine?
2-[[1,5-di(propan-2-yl)imidazol-2-yl]sulfonylmethyl]-6-methoxypyridine has a molecular weight of 337.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,5-di(propan-2-yl)imidazol-2-yl]sulfonylmethyl]-6-methoxypyridine is sourced from PubChem (CID 75523988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).