(6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C20H27N5O4S — CID 97440222

IUPAC(6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC2(CC1)O[C@@H](C(=O)NCc1ccccc1)Cn1ccnc12
InChIInChI=1S/C20H27N5O4S/c1-23(2)30(27,28)25-11-8-20(9-12-25)19-21-10-13-24(19)15-17(29-20)18(26)22-14-16-6-4-3-5-7-16/h3-7,10,13,17H,8-9,11-12,14-15H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeyXATLALQRNJIVNO-QGZVFWFLSA-N
MW433.53 g/mol
LogP0.70
Rot. Bonds5

About (6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

(6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97440222) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is (6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97440222
Molecular FormulaC20H27N5O4S
Molecular Weight433.53 g/mol
Exact Mass433.18
IUPAC Name(6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC2(CC1)O[C@@H](C(=O)NCc1ccccc1)Cn1ccnc12
InChIInChI=1S/C20H27N5O4S/c1-23(2)30(27,28)25-11-8-20(9-12-25)19-21-10-13-24(19)15-17(29-20)18(26)22-14-16-6-4-3-5-7-16/h3-7,10,13,17H,8-9,11-12,14-15H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeyXATLALQRNJIVNO-QGZVFWFLSA-N
XLogP0.70
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1'-[2-(dimethylamino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131658245
(6R)-1'-(furan-2-carbonyl)-N-[(4-methoxyphenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360732
N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131654770
1'-benzyl-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155827441
1'-[(4-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 134077220
N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131650049
N-[2-(dimethylamino)ethyl]-1'-[(3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131638824
(6S)-N-[(4-methoxyphenyl)methyl]-1'-(6-methylpyridine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360746
(6S)-N-[(4-methoxyphenyl)methyl]-1'-(pyridine-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360739
1-N',1-N'-dimethyl-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 133136205
(6R)-N-[(3-methoxyphenyl)methyl]-1'-(1-methylpyrrole-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360683
(6R)-N-[(3-methoxyphenyl)methyl]-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360658

Frequently Asked Questions

What is the IUPAC name of (6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97440222) is (6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CN(C)S(=O)(=O)N1CCC2(CC1)O[C@@H](C(=O)NCc1ccccc1)Cn1ccnc12.
What is the InChIKey of (6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is XATLALQRNJIVNO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N5O4S/c1-23(2)30(27,28)25-11-8-20(9-12-25)19-21-10-13-24(19)15-17(29-20)18(26)22-14-16-6-4-3-5-7-16/h3-7,10,13,17H,8-9,11-12,14-15H2,1-2H3,(H,22,26)/t17-/m1/s1.
What are the key properties of (6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97440222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).