1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]

C16H23NO2S — CID 134073260

IUPAC1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESCC1CCC2(CCN(S(C)(=O)=O)CC2)c2ccccc21
InChIInChI=1S/C16H23NO2S/c1-13-7-8-16(15-6-4-3-5-14(13)15)9-11-17(12-10-16)20(2,18)19/h3-6,13H,7-12H2,1-2H3
InChIKeySGTMJTMMHAOSEY-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.88
Rot. Bonds1

About 1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]

1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (PubChem CID 134073260) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].

Molecular Properties

Compound Name1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
PubChem CID134073260
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESCC1CCC2(CCN(S(C)(=O)=O)CC2)c2ccccc21
InChIInChI=1S/C16H23NO2S/c1-13-7-8-16(15-6-4-3-5-14(13)15)9-11-17(12-10-16)20(2,18)19/h3-6,13H,7-12H2,1-2H3
InChIKeySGTMJTMMHAOSEY-UHFFFAOYSA-N
XLogP2.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-methylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide
CID 134075741
N,N-dimethyl-1'-propylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine
CID 134074302
1'-methylsulfonylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155649406
1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419809
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
1-methylsulfonyl-4-phenylpiperidin-4-ol
CID 90920425
1'-methylsulfonyl-1-(oxolan-2-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 134073271
1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419622
1,1-dimethyl-3-[(1R)-1'-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea
CID 58815809
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 116769560
1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 113306025

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The IUPAC name of 1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (CID 134073260) is 1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].
What is the SMILES notation for 1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The canonical SMILES for 1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is CC1CCC2(CCN(S(C)(=O)=O)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The InChIKey is SGTMJTMMHAOSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-13-7-8-16(15-6-4-3-5-14(13)15)9-11-17(12-10-16)20(2,18)19/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] has a molecular weight of 293.43 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is sourced from PubChem (CID 134073260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).