ethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane

C13H28N2OS — CID 170740072

IUPACethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane
SMILESCC.CC(C)N1CCC2(CCN(S(C)=O)C2)C1
InChIInChI=1S/C11H22N2OS.C2H6/c1-10(2)12-6-4-11(8-12)5-7-13(9-11)15(3)14;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyCZVLGDRUFJYQOA-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.11
Rot. Bonds2

About ethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane

ethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane (PubChem CID 170740072) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is ethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Nameethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane
PubChem CID170740072
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Nameethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane
SMILESCC.CC(C)N1CCC2(CCN(S(C)=O)C2)C1
InChIInChI=1S/C11H22N2OS.C2H6/c1-10(2)12-6-4-11(8-12)5-7-13(9-11)15(3)14;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyCZVLGDRUFJYQOA-UHFFFAOYSA-N
XLogP2.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 145449305
2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
CID 170740276
1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol
CID 130380883
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 158223756
ethane;methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 162125868
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 164540860
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256
8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 135200103
ethane;2-ethyl-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 156798626

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of ethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane (CID 170740072) is ethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for ethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for ethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane is CC.CC(C)N1CCC2(CCN(S(C)=O)C2)C1.
What is the InChIKey of ethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The InChIKey is CZVLGDRUFJYQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS.C2H6/c1-10(2)12-6-4-11(8-12)5-7-13(9-11)15(3)14;1-2/h10H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane?
ethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane has a molecular weight of 260.45 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylsulfinyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 170740072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).