(6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C18H23N5O4S — CID 97440370

IUPAC(6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[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)c3cccnc3)CC2)O1
InChIInChI=1S/C18H23N5O4S/c1-21(2)16(24)15-13-22-11-8-20-17(22)18(27-15)5-9-23(10-6-18)28(25,26)14-4-3-7-19-12-14/h3-4,7-8,11-12,15H,5-6,9-10,13H2,1-2H3/t15-/m0/s1
InChIKeyQTDPIVXHRDLQPK-HNNXBMFYSA-N
MW405.48 g/mol
LogP0.45
Rot. Bonds3

About (6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

(6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97440370) has the molecular formula C18H23N5O4S and a molecular weight of 405.48 g/mol. Its IUPAC name is (6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97440370
Molecular FormulaC18H23N5O4S
Molecular Weight405.48 g/mol
Exact Mass405.15
IUPAC Name(6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[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)c3cccnc3)CC2)O1
InChIInChI=1S/C18H23N5O4S/c1-21(2)16(24)15-13-22-11-8-20-17(22)18(27-15)5-9-23(10-6-18)28(25,26)14-4-3-7-19-12-14/h3-4,7-8,11-12,15H,5-6,9-10,13H2,1-2H3/t15-/m0/s1
InChIKeyQTDPIVXHRDLQPK-HNNXBMFYSA-N
XLogP0.45
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440360
(6S)-N,N-dimethyl-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440359
(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,N-dimethyl-1'-(1,2-oxazole-5-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131640794
(6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440368
N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide
CID 95815582
N-(cyclopropylmethyl)-1'-(4-methylphenyl)sulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131650049
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
morpholin-4-yl-[1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone
CID 134074327
N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide
CID 110253727
4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid
CID 63125638

Frequently Asked Questions

What is the IUPAC name of (6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97440370) is (6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[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)c3cccnc3)CC2)O1.
What is the InChIKey of (6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is QTDPIVXHRDLQPK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O4S/c1-21(2)16(24)15-13-22-11-8-20-17(22)18(27-15)5-9-23(10-6-18)28(25,26)14-4-3-7-19-12-14/h3-4,7-8,11-12,15H,5-6,9-10,13H2,1-2H3/t15-/m0/s1.
What are the key properties of (6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97440370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).