[(1S,3S)-1,3-diphenyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-yl]methanamine

C20H23NOS2 — CID 10522337

IUPAC[(1S,3S)-1,3-diphenyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-yl]methanamine
SMILESNC[C@]1(c2ccccc2)O[C@H](c2ccccc2)CC12SCCCS2
InChIInChI=1S/C20H23NOS2/c21-15-19(17-10-5-2-6-11-17)20(23-12-7-13-24-20)14-18(22-19)16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15,21H2/t18-,19+/m0/s1
InChIKeyAEVLFUBDHBVWJD-RBUKOAKNSA-N
MW357.54 g/mol
LogP4.57
Rot. Bonds3

About [(1S,3S)-1,3-diphenyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-yl]methanamine

[(1S,3S)-1,3-diphenyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-yl]methanamine (PubChem CID 10522337) has the molecular formula C20H23NOS2 and a molecular weight of 357.54 g/mol. Its IUPAC name is [(1S,3S)-1,3-diphenyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-yl]methanamine.

Molecular Properties

Compound Name[(1S,3S)-1,3-diphenyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-yl]methanamine
PubChem CID10522337
Molecular FormulaC20H23NOS2
Molecular Weight357.54 g/mol
Exact Mass357.12
IUPAC Name[(1S,3S)-1,3-diphenyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-yl]methanamine
SMILESNC[C@]1(c2ccccc2)O[C@H](c2ccccc2)CC12SCCCS2
InChIInChI=1S/C20H23NOS2/c21-15-19(17-10-5-2-6-11-17)20(23-12-7-13-24-20)14-18(22-19)16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15,21H2/t18-,19+/m0/s1
InChIKeyAEVLFUBDHBVWJD-RBUKOAKNSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-1,3-diphenyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-yl]methanamine?
The IUPAC name of [(1S,3S)-1,3-diphenyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-yl]methanamine (CID 10522337) is [(1S,3S)-1,3-diphenyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-yl]methanamine.
What is the SMILES notation for [(1S,3S)-1,3-diphenyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-yl]methanamine?
The canonical SMILES for [(1S,3S)-1,3-diphenyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-yl]methanamine is NC[C@]1(c2ccccc2)O[C@H](c2ccccc2)CC12SCCCS2.
What is the InChIKey of [(1S,3S)-1,3-diphenyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-yl]methanamine?
The InChIKey is AEVLFUBDHBVWJD-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H23NOS2/c21-15-19(17-10-5-2-6-11-17)20(23-12-7-13-24-20)14-18(22-19)16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15,21H2/t18-,19+/m0/s1.
What are the key properties of [(1S,3S)-1,3-diphenyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-yl]methanamine?
[(1S,3S)-1,3-diphenyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-yl]methanamine has a molecular weight of 357.54 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-1,3-diphenyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-yl]methanamine is sourced from PubChem (CID 10522337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).