1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine

C16H22N2OS — CID 79898768

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine
SMILESNc1cccc2c1CCN2C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H22N2OS/c17-14-2-1-3-15-13(14)4-7-18(15)12-5-8-19-16(10-12)6-9-20-11-16/h1-3,12H,4-11,17H2
InChIKeyNPQBYZSVYAAVOH-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.69
Rot. Bonds1

About 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine (PubChem CID 79898768) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine
PubChem CID79898768
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine
SMILESNc1cccc2c1CCN2C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H22N2OS/c17-14-2-1-3-15-13(14)4-7-18(15)12-5-8-19-16(10-12)6-9-20-11-16/h1-3,12H,4-11,17H2
InChIKeyNPQBYZSVYAAVOH-UHFFFAOYSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydroindol-7-amine
CID 114456497
2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524173
3-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)aniline
CID 104831308
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79907813
[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine
CID 116640553
1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]propan-2-amine
CID 79919128
2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)pyridin-3-amine
CID 79911392
3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfinyl)aniline
CID 81180805
4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazole-3-carboxylic acid
CID 107344151
4-iodo-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazole
CID 79911649
[(2S)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919781
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
CID 81341137

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine (CID 79898768) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine is Nc1cccc2c1CCN2C1CCOC2(CCSC2)C1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine?
The InChIKey is NPQBYZSVYAAVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c17-14-2-1-3-15-13(14)4-7-18(15)12-5-8-19-16(10-12)6-9-20-11-16/h1-3,12H,4-11,17H2.
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine has a molecular weight of 290.43 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroindol-4-amine is sourced from PubChem (CID 79898768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).