N-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide

C14H20N2O2S — CID 103548549

IUPACN-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
SMILESO=C(NCC1COCCN1)C1CCCc2sccc21
InChIInChI=1S/C14H20N2O2S/c17-14(16-8-10-9-18-6-5-15-10)12-2-1-3-13-11(12)4-7-19-13/h4,7,10,12,15H,1-3,5-6,8-9H2,(H,16,17)
InChIKeyCTWXPZJNHSGANA-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.27
Rot. Bonds3

About N-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide

N-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide (PubChem CID 103548549) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide.

Molecular Properties

Compound NameN-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
PubChem CID103548549
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
SMILESO=C(NCC1COCCN1)C1CCCc2sccc21
InChIInChI=1S/C14H20N2O2S/c17-14(16-8-10-9-18-6-5-15-10)12-2-1-3-13-11(12)4-7-19-13/h4,7,10,12,15H,1-3,5-6,8-9H2,(H,16,17)
InChIKeyCTWXPZJNHSGANA-UHFFFAOYSA-N
XLogP1.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The IUPAC name of N-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide (CID 103548549) is N-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide.
What is the SMILES notation for N-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The canonical SMILES for N-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide is O=C(NCC1COCCN1)C1CCCc2sccc21.
What is the InChIKey of N-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The InChIKey is CTWXPZJNHSGANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-14(16-8-10-9-18-6-5-15-10)12-2-1-3-13-11(12)4-7-19-13/h4,7,10,12,15H,1-3,5-6,8-9H2,(H,16,17).
What are the key properties of N-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
N-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide is sourced from PubChem (CID 103548549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).