(1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane

C6H8N2S — CID 55303055

IUPAC(1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane
SMILESN1[C@@H]2C3SC4[C@@H](N[C@@H]42)[C@@H]13
InChIInChI=1S/C6H8N2S/c7-1-2-6-4(8-2)3(7)5(1)9-6/h1-8H/t1-,2+,3+,4-,5?,6?
InChIKeyRWBBODALXKSYBL-WOCYNCLHSA-N
MW140.21 g/mol
LogP-0.84
Rot. Bonds

About (1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane

(1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane (PubChem CID 55303055) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is (1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane.

Molecular Properties

Compound Name(1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane
PubChem CID55303055
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name(1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane
SMILESN1[C@@H]2C3SC4[C@@H](N[C@@H]42)[C@@H]13
InChIInChI=1S/C6H8N2S/c7-1-2-6-4(8-2)3(7)5(1)9-6/h1-8H/t1-,2+,3+,4-,5?,6?
InChIKeyRWBBODALXKSYBL-WOCYNCLHSA-N
XLogP-0.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane?
The IUPAC name of (1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane (CID 55303055) is (1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane.
What is the SMILES notation for (1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane?
The canonical SMILES for (1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane is N1[C@@H]2C3SC4[C@@H](N[C@@H]42)[C@@H]13.
What is the InChIKey of (1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane?
The InChIKey is RWBBODALXKSYBL-WOCYNCLHSA-N. The full InChI is InChI=1S/C6H8N2S/c7-1-2-6-4(8-2)3(7)5(1)9-6/h1-8H/t1-,2+,3+,4-,5?,6?.
What are the key properties of (1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane?
(1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane has a molecular weight of 140.21 g/mol, XLogP of -0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R,6S)-8-thia-2,5-diazatetracyclo[4.3.0.03,9.04,7]nonane is sourced from PubChem (CID 55303055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).