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

C8H16N2S — CID 137432949

IUPAC2-methylsulfanyl-2,7-diazaspiro[3.5]nonane
SMILESCSN1CC2(CCNCC2)C1
InChIInChI=1S/C8H16N2S/c1-11-10-6-8(7-10)2-4-9-5-3-8/h9H,2-7H2,1H3
InChIKeyZGMFAVULINUBOE-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.95
Rot. Bonds1

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

2-methylsulfanyl-2,7-diazaspiro[3.5]nonane (PubChem CID 137432949) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-methylsulfanyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methylsulfanyl-2,7-diazaspiro[3.5]nonane
PubChem CID137432949
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name2-methylsulfanyl-2,7-diazaspiro[3.5]nonane
SMILESCSN1CC2(CCNCC2)C1
InChIInChI=1S/C8H16N2S/c1-11-10-6-8(7-10)2-4-9-5-3-8/h9H,2-7H2,1H3
InChIKeyZGMFAVULINUBOE-UHFFFAOYSA-N
XLogP0.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.95
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

ethane;2-methyl-2,7-diazaspiro[3.5]nonane
CID 143448801
6-methylsulfanyl-1,6-diazaspiro[3.3]heptane
CID 139359258
5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane
CID 114697565
9-azadispiro[2.2.56.23]tridecane;hydrochloride
CID 155487193
ethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane
CID 144923266
2,8-diazaspiro[4.5]decane;ethane
CID 143048064
2-methyl-2-azaspiro[3.4]octane;3-methyl-3,9-diazaspiro[5.5]undecane
CID 177149163
1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-methylprop-2-en-1-one
CID 165439142
methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane)
CID 158463391
6-azaspiro[2.5]octane;ethane;propane
CID 176979994
2,2-dimethylpropane;2-methyl-2,8-diazaspiro[4.5]decane
CID 145168180
1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-1-one
CID 165439603

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-methylsulfanyl-2,7-diazaspiro[3.5]nonane (CID 137432949) is 2-methylsulfanyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-methylsulfanyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-methylsulfanyl-2,7-diazaspiro[3.5]nonane is CSN1CC2(CCNCC2)C1.
What is the InChIKey of 2-methylsulfanyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is ZGMFAVULINUBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-11-10-6-8(7-10)2-4-9-5-3-8/h9H,2-7H2,1H3.
What are the key properties of 2-methylsulfanyl-2,7-diazaspiro[3.5]nonane?
2-methylsulfanyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 172.30 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 137432949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).