7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine]

C14H22N2O2S — CID 146963515

IUPAC7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine]
SMILESCC1C=CC=C2C1N(S(C)(=O)=O)CC21CCNCC1
InChIInChI=1S/C14H22N2O2S/c1-11-4-3-5-12-13(11)16(19(2,17)18)10-14(12)6-8-15-9-7-14/h3-5,11,13,15H,6-10H2,1-2H3
InChIKeyALAYLKFYUBRGJF-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.13
Rot. Bonds1

About 7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine]

7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine] (PubChem CID 146963515) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine]
PubChem CID146963515
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine]
SMILESCC1C=CC=C2C1N(S(C)(=O)=O)CC21CCNCC1
InChIInChI=1S/C14H22N2O2S/c1-11-4-3-5-12-13(11)16(19(2,17)18)10-14(12)6-8-15-9-7-14/h3-5,11,13,15H,6-10H2,1-2H3
InChIKeyALAYLKFYUBRGJF-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4a,4b,8a,9,9a-hexahydro-3H-carbazole-4-sulfonamide
CID 53911086
N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide
CID 143792094
6,7-dimethyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-7,7a-dihydro-1H-indole
CID 146409671
N-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide
CID 163914034
N-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide
CID 164035603
3-[(1-Methylsulfonylpiperidin-3-yl)methyl]cyclohex-2-en-1-amine
CID 79622227
5,5-Dimethyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohex-2-en-1-amine
CID 79622317
3-[(1-Methylsulfonylpiperidin-3-yl)methyl]cyclopent-2-en-1-amine
CID 79622404
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 103276215

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine]?
The IUPAC name of 7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine] (CID 146963515) is 7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine].
What is the SMILES notation for 7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine]?
The canonical SMILES for 7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine] is CC1C=CC=C2C1N(S(C)(=O)=O)CC21CCNCC1.
What is the InChIKey of 7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine]?
The InChIKey is ALAYLKFYUBRGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-4-3-5-12-13(11)16(19(2,17)18)10-14(12)6-8-15-9-7-14/h3-5,11,13,15H,6-10H2,1-2H3.
What are the key properties of 7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine]?
7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine] has a molecular weight of 282.41 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine] is sourced from PubChem (CID 146963515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).