2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine]

C19H24ClN3OS — CID 167024424

IUPAC2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine]
SMILESCc1ccc(C2CC3(CNOCCc4cc(Cl)sc43)CC(C)N2)cn1
InChIInChI=1S/C19H24ClN3OS/c1-12-3-4-15(10-21-12)16-9-19(8-13(2)23-16)11-22-24-6-5-14-7-17(20)25-18(14)19/h3-4,7,10,13,16,22-23H,5-6,8-9,11H2,1-2H3
InChIKeyGMHUSLAQDMSLMJ-UHFFFAOYSA-N
MW377.94 g/mol
LogP3.93
Rot. Bonds1

About 2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine]

2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine] (PubChem CID 167024424) has the molecular formula C19H24ClN3OS and a molecular weight of 377.94 g/mol. Its IUPAC name is 2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine].

Molecular Properties

Compound Name2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine]
PubChem CID167024424
Molecular FormulaC19H24ClN3OS
Molecular Weight377.94 g/mol
Exact Mass377.13
IUPAC Name2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine]
SMILESCc1ccc(C2CC3(CNOCCc4cc(Cl)sc43)CC(C)N2)cn1
InChIInChI=1S/C19H24ClN3OS/c1-12-3-4-15(10-21-12)16-9-19(8-13(2)23-16)11-22-24-6-5-14-7-17(20)25-18(14)19/h3-4,7,10,13,16,22-23H,5-6,8-9,11H2,1-2H3
InChIKeyGMHUSLAQDMSLMJ-UHFFFAOYSA-N
XLogP3.93
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2'S,6'S,7S)-2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164726085
2-chloro-2'-(3-methoxy-1-methylpyrazol-4-yl)-6'-methylspiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine]
CID 167024149
5-(2-chloro-6'-methylspiro[5,7,8,9-tetrahydro-4H-thieno[3,2-d]oxonine-10,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine
CID 167024038
5-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]pyrimidin-2-amine
CID 164725799
5-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-N,N-dimethylpyrimidin-2-amine
CID 164726164
5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine
CID 164725678
(2'S,6'S,7S)-2-chloro-2'-methyl-6'-[6-(trifluoromethyl)-3-pyridinyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164725721
2-chloro-2'-methyl-6'-pyridazin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164726140
2-chloro-2'-[2-(2-methoxyphenyl)pyrimidin-5-yl]-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164725702
2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine]
CID 167024477
2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164725764
2-chloro-2'-methyl-6'-[3-(oxan-4-yl)-1H-pyrazol-5-yl]spiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine]
CID 167024113

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine]?
The IUPAC name of 2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine] (CID 167024424) is 2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine].
What is the SMILES notation for 2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine]?
The canonical SMILES for 2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine] is Cc1ccc(C2CC3(CNOCCc4cc(Cl)sc43)CC(C)N2)cn1.
What is the InChIKey of 2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine]?
The InChIKey is GMHUSLAQDMSLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3OS/c1-12-3-4-15(10-21-12)16-9-19(8-13(2)23-16)11-22-24-6-5-14-7-17(20)25-18(14)19/h3-4,7,10,13,16,22-23H,5-6,8-9,11H2,1-2H3.
What are the key properties of 2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine]?
2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine] has a molecular weight of 377.94 g/mol, XLogP of 3.93, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine] is sourced from PubChem (CID 167024424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).