2-sulfanyl-2,7-diazaspiro[3.4]octane

C6H12N2S — CID 146741021

IUPAC2-sulfanyl-2,7-diazaspiro[3.4]octane
SMILESSN1CC2(CCNC2)C1
InChIInChI=1S/C6H12N2S/c9-8-4-6(5-8)1-2-7-3-6/h7,9H,1-5H2
InChIKeyRKUXJSGFBZHYMW-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.13
Rot. Bonds

About 2-sulfanyl-2,7-diazaspiro[3.4]octane

2-sulfanyl-2,7-diazaspiro[3.4]octane (PubChem CID 146741021) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-sulfanyl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-sulfanyl-2,7-diazaspiro[3.4]octane
PubChem CID146741021
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name2-sulfanyl-2,7-diazaspiro[3.4]octane
SMILESSN1CC2(CCNC2)C1
InChIInChI=1S/C6H12N2S/c9-8-4-6(5-8)1-2-7-3-6/h7,9H,1-5H2
InChIKeyRKUXJSGFBZHYMW-UHFFFAOYSA-N
XLogP0.13
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-sulfanyl-2,7-diazaspiro[3.4]octane (CID 146741021) is 2-sulfanyl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-sulfanyl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-sulfanyl-2,7-diazaspiro[3.4]octane is SN1CC2(CCNC2)C1.
What is the InChIKey of 2-sulfanyl-2,7-diazaspiro[3.4]octane?
The InChIKey is RKUXJSGFBZHYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c9-8-4-6(5-8)1-2-7-3-6/h7,9H,1-5H2.
What are the key properties of 2-sulfanyl-2,7-diazaspiro[3.4]octane?
2-sulfanyl-2,7-diazaspiro[3.4]octane has a molecular weight of 144.24 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 146741021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).