3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane]

C15H28N2S2 — CID 10614199

IUPAC3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane]
SMILESCC(C)N1CC2CN(C(C)C)CC(C1)C21SCCS1
InChIInChI=1S/C15H28N2S2/c1-11(2)16-7-13-9-17(12(3)4)10-14(8-16)15(13)18-5-6-19-15/h11-14H,5-10H2,1-4H3
InChIKeyGISJBJSHDIJKGL-UHFFFAOYSA-N
MW300.54 g/mol
LogP2.84
Rot. Bonds2

About 3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane]

3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane] (PubChem CID 10614199) has the molecular formula C15H28N2S2 and a molecular weight of 300.54 g/mol. Its IUPAC name is 3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane].

Molecular Properties

Compound Name3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane]
PubChem CID10614199
Molecular FormulaC15H28N2S2
Molecular Weight300.54 g/mol
Exact Mass300.17
IUPAC Name3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane]
SMILESCC(C)N1CC2CN(C(C)C)CC(C1)C21SCCS1
InChIInChI=1S/C15H28N2S2/c1-11(2)16-7-13-9-17(12(3)4)10-14(8-16)15(13)18-5-6-19-15/h11-14H,5-10H2,1-4H3
InChIKeyGISJBJSHDIJKGL-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane] with MolForge

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Related Compounds

6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine
CID 134434650
(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 58030182
3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol
CID 162493737
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
3-(2-methylthiiran-2-yl)-1-propan-2-ylpiperidine
CID 155088145
6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane
CID 169193368
3,4,4,5-tetramethyl-1-propan-2-ylpiperidine
CID 121288182
5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole
CID 169244946
N-methyl-1-propan-2-ylazetidin-3-amine
CID 22952913
1-propan-2-ylazetidin-3-amine;hydrochloride
CID 134588428
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
(3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine
CID 176851982

Frequently Asked Questions

What is the IUPAC name of 3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane]?
The IUPAC name of 3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane] (CID 10614199) is 3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane].
What is the SMILES notation for 3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane]?
The canonical SMILES for 3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane] is CC(C)N1CC2CN(C(C)C)CC(C1)C21SCCS1.
What is the InChIKey of 3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane]?
The InChIKey is GISJBJSHDIJKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S2/c1-11(2)16-7-13-9-17(12(3)4)10-14(8-16)15(13)18-5-6-19-15/h11-14H,5-10H2,1-4H3.
What are the key properties of 3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane]?
3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane] has a molecular weight of 300.54 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane] is sourced from PubChem (CID 10614199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).