6-methyl-1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride

C14H18ClNO3S — CID 68664900

IUPAC6-methyl-1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride
SMILESCc1ccc2c(c1)C(=O)CC1(CCNCC1)S2(=O)=O.Cl
InChIInChI=1S/C14H17NO3S.ClH/c1-10-2-3-13-11(8-10)12(16)9-14(19(13,17)18)4-6-15-7-5-14;/h2-3,8,15H,4-7,9H2,1H3;1H
InChIKeyFPESPYCMGIATRU-UHFFFAOYSA-N
MW315.82 g/mol
LogP1.90
Rot. Bonds

About 6-methyl-1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride

6-methyl-1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride (PubChem CID 68664900) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 6-methyl-1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride.

Molecular Properties

Compound Name6-methyl-1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride
PubChem CID68664900
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name6-methyl-1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride
SMILESCc1ccc2c(c1)C(=O)CC1(CCNCC1)S2(=O)=O.Cl
InChIInChI=1S/C14H17NO3S.ClH/c1-10-2-3-13-11(8-10)12(16)9-14(19(13,17)18)4-6-15-7-5-14;/h2-3,8,15H,4-7,9H2,1H3;1H
InChIKeyFPESPYCMGIATRU-UHFFFAOYSA-N
XLogP1.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride?
The IUPAC name of 6-methyl-1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride (CID 68664900) is 6-methyl-1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride.
What is the SMILES notation for 6-methyl-1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride?
The canonical SMILES for 6-methyl-1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride is Cc1ccc2c(c1)C(=O)CC1(CCNCC1)S2(=O)=O.Cl.
What is the InChIKey of 6-methyl-1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride?
The InChIKey is FPESPYCMGIATRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S.ClH/c1-10-2-3-13-11(8-10)12(16)9-14(19(13,17)18)4-6-15-7-5-14;/h2-3,8,15H,4-7,9H2,1H3;1H.
What are the key properties of 6-methyl-1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride?
6-methyl-1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride has a molecular weight of 315.82 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride is sourced from PubChem (CID 68664900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).