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

C17H27N3O4S — CID 45187954

IUPAC2-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]oxazinane
SMILESO=S(=O)(CC1CC1)c1ncc(CN2CCCCO2)n1CC1CCCO1
InChIInChI=1S/C17H27N3O4S/c21-25(22,13-14-5-6-14)17-18-10-15(11-19-7-1-2-9-24-19)20(17)12-16-4-3-8-23-16/h10,14,16H,1-9,11-13H2
InChIKeyLEOGCUZJOZWQFV-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.77
Rot. Bonds7

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

2-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]oxazinane (PubChem CID 45187954) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]oxazinane.

Molecular Properties

Compound Name2-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]oxazinane
PubChem CID45187954
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name2-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]oxazinane
SMILESO=S(=O)(CC1CC1)c1ncc(CN2CCCCO2)n1CC1CCCO1
InChIInChI=1S/C17H27N3O4S/c21-25(22,13-14-5-6-14)17-18-10-15(11-19-7-1-2-9-24-19)20(17)12-16-4-3-8-23-16/h10,14,16H,1-9,11-13H2
InChIKeyLEOGCUZJOZWQFV-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 26399203
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}morpholine
CID 45185543
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperazine
CID 45207185
4-methyl-1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}piperidine
CID 45210739
(1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)methanol
CID 45216013
1-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-piperidinol
CID 45216916
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 45220977
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperidine
CID 45239287
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639
Sdccgsbi-0117255.P001
CID 42529828
Sdccgsbi-0114908.P001
CID 45252952

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]oxazinane?
The IUPAC name of 2-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]oxazinane (CID 45187954) is 2-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]oxazinane.
What is the SMILES notation for 2-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]oxazinane?
The canonical SMILES for 2-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]oxazinane is O=S(=O)(CC1CC1)c1ncc(CN2CCCCO2)n1CC1CCCO1.
What is the InChIKey of 2-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]oxazinane?
The InChIKey is LEOGCUZJOZWQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c21-25(22,13-14-5-6-14)17-18-10-15(11-19-7-1-2-9-24-19)20(17)12-16-4-3-8-23-16/h10,14,16H,1-9,11-13H2.
What are the key properties of 2-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]oxazinane?
2-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]oxazinane has a molecular weight of 369.49 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]oxazinane is sourced from PubChem (CID 45187954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).