2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane

C18H31N3O4S — CID 42517541

IUPAC2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane
SMILESCOCCn1c(CN2CCCCO2)cnc1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C18H31N3O4S/c1-24-12-10-21-17(14-20-9-5-6-11-25-20)13-19-18(21)26(22,23)15-16-7-3-2-4-8-16/h13,16H,2-12,14-15H2,1H3
InChIKeyJXMCZNSBDONENA-UHFFFAOYSA-N
MW385.53 g/mol
LogP2.41
Rot. Bonds8

About 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane

2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane (PubChem CID 42517541) has the molecular formula C18H31N3O4S and a molecular weight of 385.53 g/mol. Its IUPAC name is 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane.

Molecular Properties

Compound Name2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane
PubChem CID42517541
Molecular FormulaC18H31N3O4S
Molecular Weight385.53 g/mol
Exact Mass385.20
IUPAC Name2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane
SMILESCOCCn1c(CN2CCCCO2)cnc1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C18H31N3O4S/c1-24-12-10-21-17(14-20-9-5-6-11-25-20)13-19-18(21)26(22,23)15-16-7-3-2-4-8-16/h13,16H,2-12,14-15H2,1H3
InChIKeyJXMCZNSBDONENA-UHFFFAOYSA-N
XLogP2.41
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane?
The IUPAC name of 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane (CID 42517541) is 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane.
What is the SMILES notation for 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane?
The canonical SMILES for 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane is COCCn1c(CN2CCCCO2)cnc1S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane?
The InChIKey is JXMCZNSBDONENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4S/c1-24-12-10-21-17(14-20-9-5-6-11-25-20)13-19-18(21)26(22,23)15-16-7-3-2-4-8-16/h13,16H,2-12,14-15H2,1H3.
What are the key properties of 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane?
2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane has a molecular weight of 385.53 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane is sourced from PubChem (CID 42517541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).