7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C16H27N3O4S — CID 118739007

IUPAC7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCCS(=O)(=O)N1CCn2c(COCC3CCOCC3)cnc2C1C
InChIInChI=1S/C16H27N3O4S/c1-3-24(20,21)19-7-6-18-15(10-17-16(18)13(19)2)12-23-11-14-4-8-22-9-5-14/h10,13-14H,3-9,11-12H2,1-2H3
InChIKeyLRWIKYUIKJBPHX-UHFFFAOYSA-N
MW357.48 g/mol
LogP1.55
Rot. Bonds6

About 7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 118739007) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is 7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID118739007
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCCS(=O)(=O)N1CCn2c(COCC3CCOCC3)cnc2C1C
InChIInChI=1S/C16H27N3O4S/c1-3-24(20,21)19-7-6-18-15(10-17-16(18)13(19)2)12-23-11-14-4-8-22-9-5-14/h10,13-14H,3-9,11-12H2,1-2H3
InChIKeyLRWIKYUIKJBPHX-UHFFFAOYSA-N
XLogP1.55
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine with MolForge

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Related Compounds

3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
CID 118738848
3-(cyclopentylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
CID 118738854
8-methyl-7-methylsulfonyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118739000
8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118742735
(3S)-1-ethylsulfonyl-3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine
CID 164641618
3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131663876
3-methyl-5-propan-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 171801464
(8R)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97421985
(8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97421986
(8R)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97421987
(8S)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97421988
(8R)-3-(cyclopropylmethoxymethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-sulfonamide
CID 97421991

Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 118739007) is 7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CCS(=O)(=O)N1CCn2c(COCC3CCOCC3)cnc2C1C.
What is the InChIKey of 7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is LRWIKYUIKJBPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-3-24(20,21)19-7-6-18-15(10-17-16(18)13(19)2)12-23-11-14-4-8-22-9-5-14/h10,13-14H,3-9,11-12H2,1-2H3.
What are the key properties of 7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 357.48 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfonyl-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 118739007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).