6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane]

C15H21NOS — CID 115099780

IUPAC6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane]
SMILESCOc1cccc2c1NCC1(CCCCC1)CS2
InChIInChI=1S/C15H21NOS/c1-17-12-6-5-7-13-14(12)16-10-15(11-18-13)8-3-2-4-9-15/h5-7,16H,2-4,8-11H2,1H3
InChIKeyUTIMUFRADDBOSQ-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.16
Rot. Bonds1

About 6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane]

6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane] (PubChem CID 115099780) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane].

Molecular Properties

Compound Name6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane]
PubChem CID115099780
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane]
SMILESCOc1cccc2c1NCC1(CCCCC1)CS2
InChIInChI=1S/C15H21NOS/c1-17-12-6-5-7-13-14(12)16-10-15(11-18-13)8-3-2-4-9-15/h5-7,16H,2-4,8-11H2,1H3
InChIKeyUTIMUFRADDBOSQ-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane] with MolForge

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Related Compounds

6-methoxyspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclohexane]
CID 113393267
6-bromospiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclobutane]
CID 115099309
8-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclopentane]
CID 115099661
8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115098056
methyl spiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane]-9-carboxylate
CID 115100131
7-methoxyspiro[1,2-dihydroindole-3,4'-piperidine]
CID 138594581
6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115099270
6-methoxyspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-2-one
CID 115099069
7-methoxy-2,2-dimethyl-1,3-dihydroindole
CID 84717961
methyl spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclohexane]-6-carboxylate
CID 115100140
7-methoxy-3-methyl-3-propan-2-yl-1,2-dihydroindole
CID 106701883
5-methoxy-4H-1,2,4-benzothiadiazin-3-one
CID 91261539

Frequently Asked Questions

What is the IUPAC name of 6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane]?
The IUPAC name of 6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane] (CID 115099780) is 6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane].
What is the SMILES notation for 6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane]?
The canonical SMILES for 6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane] is COc1cccc2c1NCC1(CCCCC1)CS2.
What is the InChIKey of 6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane]?
The InChIKey is UTIMUFRADDBOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-17-12-6-5-7-13-14(12)16-10-15(11-18-13)8-3-2-4-9-15/h5-7,16H,2-4,8-11H2,1H3.
What are the key properties of 6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane]?
6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane] has a molecular weight of 263.41 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclohexane] is sourced from PubChem (CID 115099780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).