N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide

C13H16N2O2S — CID 118738435

IUPACN-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
SMILESN#CCCN(CC1CCCO1)C(=O)c1ccsc1
InChIInChI=1S/C13H16N2O2S/c14-5-2-6-15(9-12-3-1-7-17-12)13(16)11-4-8-18-10-11/h4,8,10,12H,1-3,6-7,9H2
InChIKeyKCJIDTKLVLHTBR-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.28
Rot. Bonds5

About N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide

N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide (PubChem CID 118738435) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
PubChem CID118738435
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
SMILESN#CCCN(CC1CCCO1)C(=O)c1ccsc1
InChIInChI=1S/C13H16N2O2S/c14-5-2-6-15(9-12-3-1-7-17-12)13(16)11-4-8-18-10-11/h4,8,10,12H,1-3,6-7,9H2
InChIKeyKCJIDTKLVLHTBR-UHFFFAOYSA-N
XLogP2.28
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide (CID 118738435) is N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide is N#CCCN(CC1CCCO1)C(=O)c1ccsc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide?
The InChIKey is KCJIDTKLVLHTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c14-5-2-6-15(9-12-3-1-7-17-12)13(16)11-4-8-18-10-11/h4,8,10,12H,1-3,6-7,9H2.
What are the key properties of N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide?
N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 118738435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).