2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C19H32N4O2S — CID 45183265

IUPAC2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCS(=O)(=O)c1ncc(CN2CCN3CCCC3C2)n1CC1CCCCC1
InChIInChI=1S/C19H32N4O2S/c1-26(24,25)19-20-12-18(23(19)13-16-6-3-2-4-7-16)15-21-10-11-22-9-5-8-17(22)14-21/h12,16-17H,2-11,13-15H2,1H3
InChIKeyVGGMUVYJSGTSJZ-UHFFFAOYSA-N
MW380.56 g/mol
LogP2.15
Rot. Bonds5

About 2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 45183265) has the molecular formula C19H32N4O2S and a molecular weight of 380.56 g/mol. Its IUPAC name is 2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID45183265
Molecular FormulaC19H32N4O2S
Molecular Weight380.56 g/mol
Exact Mass380.22
IUPAC Name2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCS(=O)(=O)c1ncc(CN2CCN3CCCC3C2)n1CC1CCCCC1
InChIInChI=1S/C19H32N4O2S/c1-26(24,25)19-20-12-18(23(19)13-16-6-3-2-4-7-16)15-21-10-11-22-9-5-8-17(22)14-21/h12,16-17H,2-11,13-15H2,1H3
InChIKeyVGGMUVYJSGTSJZ-UHFFFAOYSA-N
XLogP2.15
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 45183265) is 2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CS(=O)(=O)c1ncc(CN2CCN3CCCC3C2)n1CC1CCCCC1.
What is the InChIKey of 2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is VGGMUVYJSGTSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2S/c1-26(24,25)19-20-12-18(23(19)13-16-6-3-2-4-7-16)15-21-10-11-22-9-5-8-17(22)14-21/h12,16-17H,2-11,13-15H2,1H3.
What are the key properties of 2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 380.56 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 45183265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).