2,3-di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane

C13H25NS2 — CID 58402762

IUPAC2,3-di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane
SMILESCC(C)C1CC2(CN1C(C)C)SCCCS2
InChIInChI=1S/C13H25NS2/c1-10(2)12-8-13(9-14(12)11(3)4)15-6-5-7-16-13/h10-12H,5-9H2,1-4H3
InChIKeyUCEBNGSIBMPBNY-UHFFFAOYSA-N
MW259.48 g/mol
LogP3.69
Rot. Bonds2

About 2,3-di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane

2,3-di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane (PubChem CID 58402762) has the molecular formula C13H25NS2 and a molecular weight of 259.48 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane
PubChem CID58402762
Molecular FormulaC13H25NS2
Molecular Weight259.48 g/mol
Exact Mass259.14
IUPAC Name2,3-di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane
SMILESCC(C)C1CC2(CN1C(C)C)SCCCS2
InChIInChI=1S/C13H25NS2/c1-10(2)12-8-13(9-14(12)11(3)4)15-6-5-7-16-13/h10-12H,5-9H2,1-4H3
InChIKeyUCEBNGSIBMPBNY-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.48
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane?
The IUPAC name of 2,3-di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane (CID 58402762) is 2,3-di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane.
What is the SMILES notation for 2,3-di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane?
The canonical SMILES for 2,3-di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane is CC(C)C1CC2(CN1C(C)C)SCCCS2.
What is the InChIKey of 2,3-di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane?
The InChIKey is UCEBNGSIBMPBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS2/c1-10(2)12-8-13(9-14(12)11(3)4)15-6-5-7-16-13/h10-12H,5-9H2,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane?
2,3-di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane has a molecular weight of 259.48 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane is sourced from PubChem (CID 58402762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).