(1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione

C6H10N2S — CID 148827081

IUPAC(1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione
SMILESS=C1NC[C@H]2CC[C@@H]1N2
InChIInChI=1S/C6H10N2S/c9-6-5-2-1-4(8-5)3-7-6/h4-5,8H,1-3H2,(H,7,9)/t4-,5+/m1/s1
InChIKeyOSYCTKNNYFQXPU-UHNVWZDZSA-N
MW142.23 g/mol
LogP0.04
Rot. Bonds

About (1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione

(1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione (PubChem CID 148827081) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is (1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione.

Molecular Properties

Compound Name(1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione
PubChem CID148827081
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name(1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione
SMILESS=C1NC[C@H]2CC[C@@H]1N2
InChIInChI=1S/C6H10N2S/c9-6-5-2-1-4(8-5)3-7-6/h4-5,8H,1-3H2,(H,7,9)/t4-,5+/m1/s1
InChIKeyOSYCTKNNYFQXPU-UHNVWZDZSA-N
XLogP0.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(1S)-3,8-diazabicyclo[3.2.1]octan-2-one
CID 45092766
(6S)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 134159257
(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 51000267
2-azabicyclo[2.2.1]heptane-3-thione
CID 71376025
(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-2-thione
CID 91886205
(5S)-3,8-diazabicyclo[3.2.1]octane;molecular hydrogen
CID 166102725
5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 168862556
(2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione
CID 95970437
4-sulfanylimidazolidine-2-thione
CID 151716523
3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one
CID 165157963
31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane
CID 90736283
(1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene
CID 11074415

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione?
The IUPAC name of (1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione (CID 148827081) is (1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione.
What is the SMILES notation for (1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione?
The canonical SMILES for (1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione is S=C1NC[C@H]2CC[C@@H]1N2.
What is the InChIKey of (1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione?
The InChIKey is OSYCTKNNYFQXPU-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10N2S/c9-6-5-2-1-4(8-5)3-7-6/h4-5,8H,1-3H2,(H,7,9)/t4-,5+/m1/s1.
What are the key properties of (1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione?
(1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione has a molecular weight of 142.23 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3,8-diazabicyclo[3.2.1]octane-2-thione is sourced from PubChem (CID 148827081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).