(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine

C8H15NOS — CID 171937266

IUPAC(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine
SMILESNCC1CC2CCC(C1)S2=O
InChIInChI=1S/C8H15NOS/c9-5-6-3-7-1-2-8(4-6)11(7)10/h6-8H,1-5,9H2
InChIKeyCAMPWXZXXLOBFG-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.63
Rot. Bonds1

About (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine

(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine (PubChem CID 171937266) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine.

Molecular Properties

Compound Name(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine
PubChem CID171937266
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine
SMILESNCC1CC2CCC(C1)S2=O
InChIInChI=1S/C8H15NOS/c9-5-6-3-7-1-2-8(4-6)11(7)10/h6-8H,1-5,9H2
InChIKeyCAMPWXZXXLOBFG-UHFFFAOYSA-N
XLogP0.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine?
The IUPAC name of (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine (CID 171937266) is (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine.
What is the SMILES notation for (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine?
The canonical SMILES for (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine is NCC1CC2CCC(C1)S2=O.
What is the InChIKey of (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine?
The InChIKey is CAMPWXZXXLOBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c9-5-6-3-7-1-2-8(4-6)11(7)10/h6-8H,1-5,9H2.
What are the key properties of (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine?
(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine has a molecular weight of 173.28 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanamine is sourced from PubChem (CID 171937266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).