(6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C19H23FN4O4S — CID 97440360

IUPAC(6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCN(C)C(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C19H23FN4O4S/c1-22(2)17(25)16-13-23-12-9-21-18(23)19(28-16)7-10-24(11-8-19)29(26,27)15-5-3-14(20)4-6-15/h3-6,9,12,16H,7-8,10-11,13H2,1-2H3/t16-/m0/s1
InChIKeyPKCPBMJMHFCBCT-INIZCTEOSA-N
MW422.48 g/mol
LogP1.19
Rot. Bonds3

About (6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

(6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97440360) has the molecular formula C19H23FN4O4S and a molecular weight of 422.48 g/mol. Its IUPAC name is (6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97440360
Molecular FormulaC19H23FN4O4S
Molecular Weight422.48 g/mol
Exact Mass422.14
IUPAC Name(6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCN(C)C(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C19H23FN4O4S/c1-22(2)17(25)16-13-23-12-9-21-18(23)19(28-16)7-10-24(11-8-19)29(26,27)15-5-3-14(20)4-6-15/h3-6,9,12,16H,7-8,10-11,13H2,1-2H3/t16-/m0/s1
InChIKeyPKCPBMJMHFCBCT-INIZCTEOSA-N
XLogP1.19
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440370
(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-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131650049
(6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440368
(6R)-N,N-diethyl-1'-(2-methylpropylsulfonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440425
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
1-(4-fluorophenyl)sulfonyl-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155874322
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
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
1'-(2-fluoroethyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118739812

Frequently Asked Questions

What is the IUPAC name of (6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97440360) is (6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CN(C)C(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)O1.
What is the InChIKey of (6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is PKCPBMJMHFCBCT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23FN4O4S/c1-22(2)17(25)16-13-23-12-9-21-18(23)19(28-16)7-10-24(11-8-19)29(26,27)15-5-3-14(20)4-6-15/h3-6,9,12,16H,7-8,10-11,13H2,1-2H3/t16-/m0/s1.
What are the key properties of (6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97440360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).