4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]morpholine

C17H27N3O4S — CID 45185543

IUPAC4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]morpholine
SMILESO=S(=O)(CC1CC1)c1ncc(CN2CCOCC2)n1CC1CCCO1
InChIInChI=1S/C17H27N3O4S/c21-25(22,13-14-3-4-14)17-18-10-15(11-19-5-8-23-9-6-19)20(17)12-16-2-1-7-24-16/h10,14,16H,1-9,11-13H2
InChIKeyQJUWUIHCJGUCNP-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.08
Rot. Bonds7

About 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]morpholine

4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]morpholine (PubChem CID 45185543) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]morpholine
PubChem CID45185543
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]morpholine
SMILESO=S(=O)(CC1CC1)c1ncc(CN2CCOCC2)n1CC1CCCO1
InChIInChI=1S/C17H27N3O4S/c21-25(22,13-14-3-4-14)17-18-10-15(11-19-5-8-23-9-6-19)20(17)12-16-2-1-7-24-16/h10,14,16H,1-9,11-13H2
InChIKeyQJUWUIHCJGUCNP-UHFFFAOYSA-N
XLogP1.08
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]morpholine (CID 45185543) is 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]morpholine is O=S(=O)(CC1CC1)c1ncc(CN2CCOCC2)n1CC1CCCO1.
What is the InChIKey of 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]morpholine?
The InChIKey is QJUWUIHCJGUCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c21-25(22,13-14-3-4-14)17-18-10-15(11-19-5-8-23-9-6-19)20(17)12-16-2-1-7-24-16/h10,14,16H,1-9,11-13H2.
What are the key properties of 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]morpholine?
4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]morpholine has a molecular weight of 369.49 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]morpholine is sourced from PubChem (CID 45185543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).