(1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C17H24N6OS — CID 133113862

IUPAC(1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCn1nnnc1SCCN[C@H]1c2ccccc2C2(CCNCC2)[C@@H]1O
InChIInChI=1S/C17H24N6OS/c1-23-16(20-21-22-23)25-11-10-19-14-12-4-2-3-5-13(12)17(15(14)24)6-8-18-9-7-17/h2-5,14-15,18-19,24H,6-11H2,1H3/t14-,15+/m0/s1
InChIKeyZILWMULXMDVJQR-LSDHHAIUSA-N
MW360.49 g/mol
LogP0.63
Rot. Bonds5

About (1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 133113862) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is (1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID133113862
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name(1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCn1nnnc1SCCN[C@H]1c2ccccc2C2(CCNCC2)[C@@H]1O
InChIInChI=1S/C17H24N6OS/c1-23-16(20-21-22-23)25-11-10-19-14-12-4-2-3-5-13(12)17(15(14)24)6-8-18-9-7-17/h2-5,14-15,18-19,24H,6-11H2,1H3/t14-,15+/m0/s1
InChIKeyZILWMULXMDVJQR-LSDHHAIUSA-N
XLogP0.63
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 133113862) is (1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is Cn1nnnc1SCCN[C@H]1c2ccccc2C2(CCNCC2)[C@@H]1O.
What is the InChIKey of (1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is ZILWMULXMDVJQR-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-23-16(20-21-22-23)25-11-10-19-14-12-4-2-3-5-13(12)17(15(14)24)6-8-18-9-7-17/h2-5,14-15,18-19,24H,6-11H2,1H3/t14-,15+/m0/s1.
What are the key properties of (1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 360.49 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 133113862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).