ethane;6-methyl-2-thia-6-azabicyclo[3.1.0]hexane

C7H15NS — CID 91585457

IUPACethane;6-methyl-2-thia-6-azabicyclo[3.1.0]hexane
SMILESCC.CN1C2CCSC21
InChIInChI=1S/C5H9NS.C2H6/c1-6-4-2-3-7-5(4)6;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyCEFZKGDLPHVMIJ-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.79
Rot. Bonds

About ethane;6-methyl-2-thia-6-azabicyclo[3.1.0]hexane

ethane;6-methyl-2-thia-6-azabicyclo[3.1.0]hexane (PubChem CID 91585457) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is ethane;6-methyl-2-thia-6-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameethane;6-methyl-2-thia-6-azabicyclo[3.1.0]hexane
PubChem CID91585457
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Nameethane;6-methyl-2-thia-6-azabicyclo[3.1.0]hexane
SMILESCC.CN1C2CCSC21
InChIInChI=1S/C5H9NS.C2H6/c1-6-4-2-3-7-5(4)6;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyCEFZKGDLPHVMIJ-UHFFFAOYSA-N
XLogP1.79
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2-thia-6-azabicyclo[3.1.0]hexane?
The IUPAC name of ethane;6-methyl-2-thia-6-azabicyclo[3.1.0]hexane (CID 91585457) is ethane;6-methyl-2-thia-6-azabicyclo[3.1.0]hexane.
What is the SMILES notation for ethane;6-methyl-2-thia-6-azabicyclo[3.1.0]hexane?
The canonical SMILES for ethane;6-methyl-2-thia-6-azabicyclo[3.1.0]hexane is CC.CN1C2CCSC21.
What is the InChIKey of ethane;6-methyl-2-thia-6-azabicyclo[3.1.0]hexane?
The InChIKey is CEFZKGDLPHVMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS.C2H6/c1-6-4-2-3-7-5(4)6;1-2/h4-5H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-2-thia-6-azabicyclo[3.1.0]hexane?
ethane;6-methyl-2-thia-6-azabicyclo[3.1.0]hexane has a molecular weight of 145.27 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2-thia-6-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 91585457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).