N-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide

C11H13N3O2S — CID 2368778

IUPACN-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCOCC1
InChIInChI=1S/C11H13N3O2S/c12-7-9-1-6-17-11(9)13-10(15)8-14-2-4-16-5-3-14/h1,6H,2-5,8H2,(H,13,15)
InChIKeyCUFUDAYBDHLABS-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.89
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide

N-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 2368778) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide
PubChem CID2368778
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCOCC1
InChIInChI=1S/C11H13N3O2S/c12-7-9-1-6-17-11(9)13-10(15)8-14-2-4-16-5-3-14/h1,6H,2-5,8H2,(H,13,15)
InChIKeyCUFUDAYBDHLABS-UHFFFAOYSA-N
XLogP0.89
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide (CID 2368778) is N-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide is N#Cc1ccsc1NC(=O)CN1CCOCC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is CUFUDAYBDHLABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c12-7-9-1-6-17-11(9)13-10(15)8-14-2-4-16-5-3-14/h1,6H,2-5,8H2,(H,13,15).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide?
N-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 251.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2368778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).