[1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine

C15H23N3O4S2 — CID 91141346

IUPAC[1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine
SMILESCS(=O)(=O)CS(=O)(=O)N1CCC2(CC1)CNc1ccc(CN)cc12
InChIInChI=1S/C15H23N3O4S2/c1-23(19,20)11-24(21,22)18-6-4-15(5-7-18)10-17-14-3-2-12(9-16)8-13(14)15/h2-3,8,17H,4-7,9-11,16H2,1H3
InChIKeyRVHLFHVYESSZRP-UHFFFAOYSA-N
MW373.50 g/mol
LogP0.24
Rot. Bonds4

About [1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine

[1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine (PubChem CID 91141346) has the molecular formula C15H23N3O4S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is [1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine.

Molecular Properties

Compound Name[1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine
PubChem CID91141346
Molecular FormulaC15H23N3O4S2
Molecular Weight373.50 g/mol
Exact Mass373.11
IUPAC Name[1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine
SMILESCS(=O)(=O)CS(=O)(=O)N1CCC2(CC1)CNc1ccc(CN)cc12
InChIInChI=1S/C15H23N3O4S2/c1-23(19,20)11-24(21,22)18-6-4-15(5-7-18)10-17-14-3-2-12(9-16)8-13(14)15/h2-3,8,17H,4-7,9-11,16H2,1H3
InChIKeyRVHLFHVYESSZRP-UHFFFAOYSA-N
XLogP0.24
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine
CID 68737526
4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol
CID 82842950
[4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
CID 79189556
1-[5-(aminomethyl)spiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl]ethanone
CID 90213719
(3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]
CID 70993859
2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride
CID 68734151
1'-(1-cyclopentylethyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 70957715
1'-[(1R)-1-cyclopentylethyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 70957527
N-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide
CID 57113557
1-(5-sulfanylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)ethanone
CID 90463958
1'-[4-(difluoromethyl)phenyl]sulfonylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 175894708
1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 59613151

Frequently Asked Questions

What is the IUPAC name of [1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine?
The IUPAC name of [1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine (CID 91141346) is [1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine.
What is the SMILES notation for [1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine?
The canonical SMILES for [1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine is CS(=O)(=O)CS(=O)(=O)N1CCC2(CC1)CNc1ccc(CN)cc12.
What is the InChIKey of [1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine?
The InChIKey is RVHLFHVYESSZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2/c1-23(19,20)11-24(21,22)18-6-4-15(5-7-18)10-17-14-3-2-12(9-16)8-13(14)15/h2-3,8,17H,4-7,9-11,16H2,1H3.
What are the key properties of [1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine?
[1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine has a molecular weight of 373.50 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(methylsulfonylmethylsulfonyl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine is sourced from PubChem (CID 91141346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).