(2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine

C18H24N2O2S — CID 10735346

IUPAC(2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine
SMILESC=C(C[C@@H]1N=C(OC)[C@@H](C(C)C)N=C1OC)Sc1ccccc1
InChIInChI=1S/C18H24N2O2S/c1-12(2)16-18(22-5)19-15(17(20-16)21-4)11-13(3)23-14-9-7-6-8-10-14/h6-10,12,15-16H,3,11H2,1-2,4-5H3/t15-,16+/m0/s1
InChIKeyFBWMZYWXWRKEGS-JKSUJKDBSA-N
MW332.47 g/mol
LogP4.18
Rot. Bonds5

About (2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine

(2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine (PubChem CID 10735346) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is (2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine
PubChem CID10735346
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name(2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine
SMILESC=C(C[C@@H]1N=C(OC)[C@@H](C(C)C)N=C1OC)Sc1ccccc1
InChIInChI=1S/C18H24N2O2S/c1-12(2)16-18(22-5)19-15(17(20-16)21-4)11-13(3)23-14-9-7-6-8-10-14/h6-10,12,15-16H,3,11H2,1-2,4-5H3/t15-,16+/m0/s1
InChIKeyFBWMZYWXWRKEGS-JKSUJKDBSA-N
XLogP4.18
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine with MolForge

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Related Compounds

(4S)-4-tert-butyl-2-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
CID 9992269
(4S)-2-(phenylsulfanylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 10466612
(4S)-4-tert-butyl-2-(2-phenylsulfanylcyclopenta-2,4-dien-1-yl)-4,5-dihydro-1,3-oxazole
CID 12165896
trimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane
CID 100954885
(4S)-2-(2-phenylsulfanylcyclopenta-2,4-dien-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 100954889
2-Phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 132508764

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of (2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine (CID 10735346) is (2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for (2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for (2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine is C=C(C[C@@H]1N=C(OC)[C@@H](C(C)C)N=C1OC)Sc1ccccc1.
What is the InChIKey of (2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is FBWMZYWXWRKEGS-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-12(2)16-18(22-5)19-15(17(20-16)21-4)11-13(3)23-14-9-7-6-8-10-14/h6-10,12,15-16H,3,11H2,1-2,4-5H3/t15-,16+/m0/s1.
What are the key properties of (2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine?
(2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine has a molecular weight of 332.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 10735346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).