(5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane

C4H7NS2 — CID 93499693

IUPAC(5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane
SMILESC1CN2CS[C@@H]2S1
InChIInChI=1S/C4H7NS2/c1-2-6-4-5(1)3-7-4/h4H,1-3H2/t4-/m0/s1
InChIKeyXDEVRMXSDRYVHQ-BYPYZUCNSA-N
MW133.24 g/mol
LogP1.02
Rot. Bonds

About (5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane

(5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane (PubChem CID 93499693) has the molecular formula C4H7NS2 and a molecular weight of 133.24 g/mol. Its IUPAC name is (5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane
PubChem CID93499693
Molecular FormulaC4H7NS2
Molecular Weight133.24 g/mol
Exact Mass133.00
IUPAC Name(5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane
SMILESC1CN2CS[C@@H]2S1
InChIInChI=1S/C4H7NS2/c1-2-6-4-5(1)3-7-4/h4H,1-3H2/t4-/m0/s1
InChIKeyXDEVRMXSDRYVHQ-BYPYZUCNSA-N
XLogP1.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.24
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane?
The IUPAC name of (5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane (CID 93499693) is (5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane.
What is the SMILES notation for (5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane?
The canonical SMILES for (5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane is C1CN2CS[C@@H]2S1.
What is the InChIKey of (5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane?
The InChIKey is XDEVRMXSDRYVHQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H7NS2/c1-2-6-4-5(1)3-7-4/h4H,1-3H2/t4-/m0/s1.
What are the key properties of (5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane?
(5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane has a molecular weight of 133.24 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4,6-dithia-1-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 93499693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).