6-methylsulfanyl-1,6-diazaspiro[3.3]heptane

C6H12N2S — CID 139359258

IUPAC6-methylsulfanyl-1,6-diazaspiro[3.3]heptane
SMILESCSN1CC2(CCN2)C1
InChIInChI=1S/C6H12N2S/c1-9-8-4-6(5-8)2-3-7-6/h7H,2-5H2,1H3
InChIKeyZEKXDJJKJXYYEE-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.31
Rot. Bonds1

About 6-methylsulfanyl-1,6-diazaspiro[3.3]heptane

6-methylsulfanyl-1,6-diazaspiro[3.3]heptane (PubChem CID 139359258) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 6-methylsulfanyl-1,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-methylsulfanyl-1,6-diazaspiro[3.3]heptane
PubChem CID139359258
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name6-methylsulfanyl-1,6-diazaspiro[3.3]heptane
SMILESCSN1CC2(CCN2)C1
InChIInChI=1S/C6H12N2S/c1-9-8-4-6(5-8)2-3-7-6/h7H,2-5H2,1H3
InChIKeyZEKXDJJKJXYYEE-UHFFFAOYSA-N
XLogP0.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.31
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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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-1,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-methylsulfanyl-1,6-diazaspiro[3.3]heptane (CID 139359258) is 6-methylsulfanyl-1,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-methylsulfanyl-1,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-methylsulfanyl-1,6-diazaspiro[3.3]heptane is CSN1CC2(CCN2)C1.
What is the InChIKey of 6-methylsulfanyl-1,6-diazaspiro[3.3]heptane?
The InChIKey is ZEKXDJJKJXYYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-9-8-4-6(5-8)2-3-7-6/h7H,2-5H2,1H3.
What are the key properties of 6-methylsulfanyl-1,6-diazaspiro[3.3]heptane?
6-methylsulfanyl-1,6-diazaspiro[3.3]heptane has a molecular weight of 144.24 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 139359258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).