2-sulfanyl-2,8-diazaspiro[4.5]decane

C8H16N2S — CID 123386358

IUPAC2-sulfanyl-2,8-diazaspiro[4.5]decane
SMILESSN1CCC2(CCNCC2)C1
InChIInChI=1S/C8H16N2S/c11-10-6-3-8(7-10)1-4-9-5-2-8/h9,11H,1-7H2
InChIKeyBMAQEOGLTMUKEY-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.91
Rot. Bonds

About 2-sulfanyl-2,8-diazaspiro[4.5]decane

2-sulfanyl-2,8-diazaspiro[4.5]decane (PubChem CID 123386358) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-sulfanyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-sulfanyl-2,8-diazaspiro[4.5]decane
PubChem CID123386358
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name2-sulfanyl-2,8-diazaspiro[4.5]decane
SMILESSN1CCC2(CCNCC2)C1
InChIInChI=1S/C8H16N2S/c11-10-6-3-8(7-10)1-4-9-5-2-8/h9,11H,1-7H2
InChIKeyBMAQEOGLTMUKEY-UHFFFAOYSA-N
XLogP0.91
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-sulfanyl-2,7-diazaspiro[3.4]octane
CID 146741021
2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane
CID 169000386
2,2-dimethylpropane;2-methyl-2,8-diazaspiro[4.5]decane
CID 145168180
2-cycloheptyl-2,8-diazaspiro[4.5]decane
CID 82476519
methane;bis(3-methyl-3,9-diazaspiro[5.5]undecane)
CID 158463391
2-propylsulfonyl-2,8-diazaspiro[4.5]decane
CID 83723515
2-(2-azaspiro[4.4]nonan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 166969066
2-[(1-methylcyclobutyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906458
2-(oxan-4-yl)-2,8-diazaspiro[4.5]decane
CID 169161347
2-(3-methylbutyl)-2,8-diazaspiro[4.5]decane
CID 82470794
2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154885864
9-azadispiro[2.2.56.23]tridecane;hydrochloride
CID 155487193

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-sulfanyl-2,8-diazaspiro[4.5]decane (CID 123386358) is 2-sulfanyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-sulfanyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-sulfanyl-2,8-diazaspiro[4.5]decane is SN1CCC2(CCNCC2)C1.
What is the InChIKey of 2-sulfanyl-2,8-diazaspiro[4.5]decane?
The InChIKey is BMAQEOGLTMUKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c11-10-6-3-8(7-10)1-4-9-5-2-8/h9,11H,1-7H2.
What are the key properties of 2-sulfanyl-2,8-diazaspiro[4.5]decane?
2-sulfanyl-2,8-diazaspiro[4.5]decane has a molecular weight of 172.30 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 123386358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).