6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride

C14H18ClNO2S — CID 68664168

IUPAC6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride
SMILESCOc1ccc2c(c1)C(=O)CC1(CCNCC1)S2.Cl
InChIInChI=1S/C14H17NO2S.ClH/c1-17-10-2-3-13-11(8-10)12(16)9-14(18-13)4-6-15-7-5-14;/h2-3,8,15H,4-7,9H2,1H3;1H
InChIKeyLFGKSJFLBLKWJQ-UHFFFAOYSA-N
MW299.82 g/mol
LogP2.92
Rot. Bonds1

About 6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride

6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride (PubChem CID 68664168) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride.

Molecular Properties

Compound Name6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride
PubChem CID68664168
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride
SMILESCOc1ccc2c(c1)C(=O)CC1(CCNCC1)S2.Cl
InChIInChI=1S/C14H17NO2S.ClH/c1-17-10-2-3-13-11(8-10)12(16)9-14(18-13)4-6-15-7-5-14;/h2-3,8,15H,4-7,9H2,1H3;1H
InChIKeyLFGKSJFLBLKWJQ-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate
CID 59312165
6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one
CID 57074015
3-methoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 13096425
6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207107
6-methoxy-4H-1,2-benzothiazin-3-one
CID 67643031
4-methoxy-2-[(4-methylpiperidine-4-carbonyl)amino]benzoic acid
CID 115411549
3,3-diethyl-6-methoxy-2H-inden-1-one
CID 19036614
3,8-dimethoxy-4-methylspiro[benzo[b][1]benzothiepine-6,4'-piperidine]-5-one
CID 70545693
6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 66524938
4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid
CID 82091719
4-(6-methoxynaphthalen-2-yl)piperidin-4-ol;hydrochloride
CID 142647916
4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571

Frequently Asked Questions

What is the IUPAC name of 6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride?
The IUPAC name of 6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride (CID 68664168) is 6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride.
What is the SMILES notation for 6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride?
The canonical SMILES for 6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride is COc1ccc2c(c1)C(=O)CC1(CCNCC1)S2.Cl.
What is the InChIKey of 6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride?
The InChIKey is LFGKSJFLBLKWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S.ClH/c1-17-10-2-3-13-11(8-10)12(16)9-14(18-13)4-6-15-7-5-14;/h2-3,8,15H,4-7,9H2,1H3;1H.
What are the key properties of 6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride?
6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride has a molecular weight of 299.82 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride is sourced from PubChem (CID 68664168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).