molecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane

C5H11NS — CID 145008129

IUPACmolecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane
SMILESC1CSC2CC2N1.[H][H]
InChIInChI=1S/C5H9NS.H2/c1-2-7-5-3-4(5)6-1;/h4-6H,1-3H2;1H
InChIKeyXJHXGPSEKFIDQF-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.71
Rot. Bonds

About molecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane

molecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane (PubChem CID 145008129) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is molecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Namemolecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane
PubChem CID145008129
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Namemolecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane
SMILESC1CSC2CC2N1.[H][H]
InChIInChI=1S/C5H9NS.H2/c1-2-7-5-3-4(5)6-1;/h4-6H,1-3H2;1H
InChIKeyXJHXGPSEKFIDQF-UHFFFAOYSA-N
XLogP0.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane?
The IUPAC name of molecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane (CID 145008129) is molecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane.
What is the SMILES notation for molecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane?
The canonical SMILES for molecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane is C1CSC2CC2N1.[H][H].
What is the InChIKey of molecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane?
The InChIKey is XJHXGPSEKFIDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS.H2/c1-2-7-5-3-4(5)6-1;/h4-6H,1-3H2;1H.
What are the key properties of molecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane?
molecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane has a molecular weight of 117.22 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2-thia-5-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 145008129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).