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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Related Compounds

2-methylsulfanyl-2,7-diazaspiro[3.5]nonane
CID 137432949
(4S)-8-methyl-1,8-diazaspiro[3.5]nonane
CID 96839656
3-methoxy-3-methyl-1-methylsulfanylazetidine
CID 166960473
1,7-diazaspiro[3.5]nonane;ethane
CID 168977317
3,3-difluoro-1-methylsulfanylpyrrolidine
CID 123776215
ethane;9-methyl-1,9-diazaspiro[3.6]decane
CID 170572198
6-methyl-1-azaspiro[3.3]heptane
CID 103565322
1,6-diazaspiro[3.3]heptane
CID 21263412
2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one
CID 171516524
1,7-diazaspiro[3.5]nonan-7-amine
CID 163467616
ethane;7-ethyl-1,7-diazaspiro[3.4]octane;molecular hydrogen
CID 143973878
ethane;7-methylsulfanyl-2,7-diazaspiro[3.5]nonane
CID 144923266

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).