N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C13H20N4O4S — CID 131654770

IUPACN-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(S(C)(=O)=O)CC2)O1
InChIInChI=1S/C13H20N4O4S/c1-14-11(18)10-9-16-8-5-15-12(16)13(21-10)3-6-17(7-4-13)22(2,19)20/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,14,18)
InChIKeyLSAULGPOZKHCLG-UHFFFAOYSA-N
MW328.39 g/mol
LogP-0.72
Rot. Bonds2

About N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 131654770) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound NameN-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID131654770
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC NameN-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(S(C)(=O)=O)CC2)O1
InChIInChI=1S/C13H20N4O4S/c1-14-11(18)10-9-16-8-5-15-12(16)13(21-10)3-6-17(7-4-13)22(2,19)20/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,14,18)
InChIKeyLSAULGPOZKHCLG-UHFFFAOYSA-N
XLogP-0.72
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-morpholin-4-ylmethanone
CID 131661410
1'-(2-fluoroethyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118739812
(6R)-N-methyl-1'-(oxane-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97385149
N-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 133141653
N-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131649844
N-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118743979
1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 134077208
1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155838211
(6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440222
N-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 134073412
N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131650049
(6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440425

Frequently Asked Questions

What is the IUPAC name of N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 131654770) is N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CNC(=O)C1Cn2ccnc2C2(CCN(S(C)(=O)=O)CC2)O1.
What is the InChIKey of N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is LSAULGPOZKHCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S/c1-14-11(18)10-9-16-8-5-15-12(16)13(21-10)3-6-17(7-4-13)22(2,19)20/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,14,18).
What are the key properties of N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 328.39 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 131654770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).