(1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

C13H18N2OS2 — CID 129409722

IUPAC(1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCSC1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccs1
InChIInChI=1S/C13H18N2OS2/c1-17-11-7-9-4-5-10(8-11)15(9)13(16)14-12-3-2-6-18-12/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,14,16)/t9-,10+,11?
InChIKeyZJMZIZPWAYICGA-ZACCUICWSA-N
MW282.43 g/mol
LogP3.64
Rot. Bonds2

About (1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide

(1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 129409722) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID129409722
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC Name(1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCSC1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccs1
InChIInChI=1S/C13H18N2OS2/c1-17-11-7-9-4-5-10(8-11)15(9)13(16)14-12-3-2-6-18-12/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,14,16)/t9-,10+,11?
InChIKeyZJMZIZPWAYICGA-ZACCUICWSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 129409722) is (1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is CSC1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccs1.
What is the InChIKey of (1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is ZJMZIZPWAYICGA-ZACCUICWSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-17-11-7-9-4-5-10(8-11)15(9)13(16)14-12-3-2-6-18-12/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,14,16)/t9-,10+,11?.
What are the key properties of (1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide?
(1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 129409722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).