N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C22H28N4O4S — CID 131650049

IUPACN-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)OC(C(=O)NCC2CC2)Cn2ccnc23)cc1
InChIInChI=1S/C22H28N4O4S/c1-16-2-6-18(7-3-16)31(28,29)26-11-8-22(9-12-26)21-23-10-13-25(21)15-19(30-22)20(27)24-14-17-4-5-17/h2-3,6-7,10,13,17,19H,4-5,8-9,11-12,14-15H2,1H3,(H,24,27)
InChIKeyNDSCRYWXNCAHIR-UHFFFAOYSA-N
MW444.56 g/mol
LogP1.80
Rot. Bonds5

About N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 131650049) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID131650049
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC NameN-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)OC(C(=O)NCC2CC2)Cn2ccnc23)cc1
InChIInChI=1S/C22H28N4O4S/c1-16-2-6-18(7-3-16)31(28,29)26-11-8-22(9-12-26)21-23-10-13-25(21)15-19(30-22)20(27)24-14-17-4-5-17/h2-3,6-7,10,13,17,19H,4-5,8-9,11-12,14-15H2,1H3,(H,24,27)
InChIKeyNDSCRYWXNCAHIR-UHFFFAOYSA-N
XLogP1.80
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440359
(6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440360
(6R)-N,N-diethyl-1'-(3-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440417
N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131654770
(6R)-N-benzyl-1'-(dimethylsulfamoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440222
(6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440370
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
N-(2-methylpropyl)-1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131649874
1'-(2-fluoroethyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118739812
(6R)-N-(2-methylpropyl)-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360794
(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
(6R)-N-methyl-1'-(oxane-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97385149

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 131650049) is N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is Cc1ccc(S(=O)(=O)N2CCC3(CC2)OC(C(=O)NCC2CC2)Cn2ccnc23)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is NDSCRYWXNCAHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-16-2-6-18(7-3-16)31(28,29)26-11-8-22(9-12-26)21-23-10-13-25(21)15-19(30-22)20(27)24-14-17-4-5-17/h2-3,6-7,10,13,17,19H,4-5,8-9,11-12,14-15H2,1H3,(H,24,27).
What are the key properties of N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 131650049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).