ethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane

C10H22N2S — CID 144923266

IUPACethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CSN1CCC2(CC1)CNC2
InChIInChI=1S/C8H16N2S.C2H6/c1-11-10-4-2-8(3-5-10)6-9-7-8;1-2/h9H,2-7H2,1H3;1-2H3
InChIKeyXVVYSLGAOKHLAU-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.98
Rot. Bonds1

About ethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane

ethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane (PubChem CID 144923266) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is ethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane
PubChem CID144923266
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Nameethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CSN1CCC2(CC1)CNC2
InChIInChI=1S/C8H16N2S.C2H6/c1-11-10-4-2-8(3-5-10)6-9-7-8;1-2/h9H,2-7H2,1H3;1-2H3
InChIKeyXVVYSLGAOKHLAU-UHFFFAOYSA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Methanesulfonyl-2,7-diazaspiro[3.5]nonane hydrochloride
CID 167718198
7-Methyl-2,7-diazaspiro[3.5]nonane
CID 10997117
2-Methyl-2,7-diazaspiro[3.5]nonane
CID 58042983
5,5-Difluoro-2-methylsulfanyl-2,7-diazaspiro[3.5]nonane
CID 137433048
7-(3-Methylbutyl)-2,7-diazaspiro[3.5]nonane
CID 57765825
2,7-Diazaspiro[3.5]nonane, 7-propyl-
CID 66661307
2,7-Diazaspiro[3.5]nonane, 2-propyl-
CID 66661314
2-Ethyl-2,7-diazaspiro[3.5]nonane
CID 68042172
7-Ethyl-2,7-diazaspiro[3.5]nonane
CID 68324760
7-(Methylsulfonyl)-2,7-diazaspiro[3.5]nonane
CID 73013724
7-Methyl-2,7-diazaspiro[3.5]nonane hydrochloride
CID 73554218
7-Butyl-2,7-diazaspiro[3.5]nonane
CID 84110838

Frequently Asked Questions

What is the IUPAC name of ethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of ethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane (CID 144923266) is ethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for ethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for ethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane is CC.CSN1CCC2(CC1)CNC2.
What is the InChIKey of ethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is XVVYSLGAOKHLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S.C2H6/c1-11-10-4-2-8(3-5-10)6-9-7-8;1-2/h9H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane?
ethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 202.37 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 144923266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).