spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane]

C15H18N2S — CID 10332756

IUPACspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane]
SMILESc1ccc2c3c([nH]c2c1)C1(CCSCC1)NCC3
InChIInChI=1S/C15H18N2S/c1-2-4-13-11(3-1)12-5-8-16-15(14(12)17-13)6-9-18-10-7-15/h1-4,16-17H,5-10H2
InChIKeyQZLYWAYPRARMDB-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.04
Rot. Bonds

About spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane]

spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane] (PubChem CID 10332756) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane].

Molecular Properties

Compound Namespiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane]
PubChem CID10332756
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Namespiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane]
SMILESc1ccc2c3c([nH]c2c1)C1(CCSCC1)NCC3
InChIInChI=1S/C15H18N2S/c1-2-4-13-11(3-1)12-5-8-16-15(14(12)17-13)6-9-18-10-7-15/h1-4,16-17H,5-10H2
InChIKeyQZLYWAYPRARMDB-UHFFFAOYSA-N
XLogP3.04
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
CID 10083666
(1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]
CID 39902695
4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]
CID 2415714
2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-thiane]
CID 10468482
2,2-dimethyl-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 110197708
(1R)-1-iodo-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71178701
1'-(3-phenoxypropyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
CID 126472040
2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
CID 110197533
N-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide
CID 42695534
(1-ethylpyrazol-3-yl)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 110197556
1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 171976095
6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
CID 17339270

Frequently Asked Questions

What is the IUPAC name of spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane]?
The IUPAC name of spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane] (CID 10332756) is spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane].
What is the SMILES notation for spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane]?
The canonical SMILES for spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane] is c1ccc2c3c([nH]c2c1)C1(CCSCC1)NCC3.
What is the InChIKey of spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane]?
The InChIKey is QZLYWAYPRARMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-4-13-11(3-1)12-5-8-16-15(14(12)17-13)6-9-18-10-7-15/h1-4,16-17H,5-10H2.
What are the key properties of spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane]?
spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane] has a molecular weight of 258.39 g/mol, XLogP of 3.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane] is sourced from PubChem (CID 10332756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).