N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide

C17H25N3O2S — CID 166202803

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)N1CCCC2CC21
InChIInChI=1S/C17H25N3O2S/c21-17(20-5-1-3-13-11-14(13)20)18-12-15(16-4-2-10-23-16)19-6-8-22-9-7-19/h2,4,10,13-15H,1,3,5-9,11-12H2,(H,18,21)
InChIKeyJSRDDNOFGZYXGX-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.32
Rot. Bonds4

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide (PubChem CID 166202803) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide
PubChem CID166202803
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)N1CCCC2CC21
InChIInChI=1S/C17H25N3O2S/c21-17(20-5-1-3-13-11-14(13)20)18-12-15(16-4-2-10-23-16)19-6-8-22-9-7-19/h2,4,10,13-15H,1,3,5-9,11-12H2,(H,18,21)
InChIKeyJSRDDNOFGZYXGX-UHFFFAOYSA-N
XLogP2.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide (CID 166202803) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide is O=C(NCC(c1cccs1)N1CCOCC1)N1CCCC2CC21.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide?
The InChIKey is JSRDDNOFGZYXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-17(20-5-1-3-13-11-14(13)20)18-12-15(16-4-2-10-23-16)19-6-8-22-9-7-19/h2,4,10,13-15H,1,3,5-9,11-12H2,(H,18,21).
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-azabicyclo[4.1.0]heptane-2-carboxamide is sourced from PubChem (CID 166202803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).