(1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone

C16H24N4O5S — CID 131661410

IUPAC(1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone
SMILESCS(=O)(=O)N1CCC2(CC1)OC(C(=O)N1CCOCC1)Cn1ccnc12
InChIInChI=1S/C16H24N4O5S/c1-26(22,23)20-5-2-16(3-6-20)15-17-4-7-19(15)12-13(25-16)14(21)18-8-10-24-11-9-18/h4,7,13H,2-3,5-6,8-12H2,1H3
InChIKeyGRVQJEVYRIFDJC-UHFFFAOYSA-N
MW384.46 g/mol
LogP-0.61
Rot. Bonds2

About (1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone

(1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone (PubChem CID 131661410) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is (1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone
PubChem CID131661410
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Name(1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone
SMILESCS(=O)(=O)N1CCC2(CC1)OC(C(=O)N1CCOCC1)Cn1ccnc12
InChIInChI=1S/C16H24N4O5S/c1-26(22,23)20-5-2-16(3-6-20)15-17-4-7-19(15)12-13(25-16)14(21)18-8-10-24-11-9-18/h4,7,13H,2-3,5-6,8-12H2,1H3
InChIKeyGRVQJEVYRIFDJC-UHFFFAOYSA-N
XLogP-0.61
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone (CID 131661410) is (1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone is CS(=O)(=O)N1CCC2(CC1)OC(C(=O)N1CCOCC1)Cn1ccnc12.
What is the InChIKey of (1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone?
The InChIKey is GRVQJEVYRIFDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-26(22,23)20-5-2-16(3-6-20)15-17-4-7-19(15)12-13(25-16)14(21)18-8-10-24-11-9-18/h4,7,13H,2-3,5-6,8-12H2,1H3.
What are the key properties of (1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone?
(1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone has a molecular weight of 384.46 g/mol, XLogP of -0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 131661410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).