N-(oxan-4-ylmethyl)thiophene-3-carboxamide

C11H15NO2S — CID 110875679

IUPACN-(oxan-4-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1ccsc1
InChIInChI=1S/C11H15NO2S/c13-11(10-3-6-15-8-10)12-7-9-1-4-14-5-2-9/h3,6,8-9H,1-2,4-5,7H2,(H,12,13)
InChIKeyZRQBZKXASGVDEV-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.90
Rot. Bonds3

About N-(oxan-4-ylmethyl)thiophene-3-carboxamide

N-(oxan-4-ylmethyl)thiophene-3-carboxamide (PubChem CID 110875679) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)thiophene-3-carboxamide
PubChem CID110875679
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-(oxan-4-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1ccsc1
InChIInChI=1S/C11H15NO2S/c13-11(10-3-6-15-8-10)12-7-9-1-4-14-5-2-9/h3,6,8-9H,1-2,4-5,7H2,(H,12,13)
InChIKeyZRQBZKXASGVDEV-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)thiophene-3-carboxamide (CID 110875679) is N-(oxan-4-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)thiophene-3-carboxamide is O=C(NCC1CCOCC1)c1ccsc1.
What is the InChIKey of N-(oxan-4-ylmethyl)thiophene-3-carboxamide?
The InChIKey is ZRQBZKXASGVDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-11(10-3-6-15-8-10)12-7-9-1-4-14-5-2-9/h3,6,8-9H,1-2,4-5,7H2,(H,12,13).
What are the key properties of N-(oxan-4-ylmethyl)thiophene-3-carboxamide?
N-(oxan-4-ylmethyl)thiophene-3-carboxamide has a molecular weight of 225.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 110875679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).