N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

C16H24N2O2S — CID 3241233

IUPACN-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1csc2c1CCCCC2
InChIInChI=1S/C16H24N2O2S/c19-16(17-6-7-18-8-10-20-11-9-18)14-12-21-15-5-3-1-2-4-13(14)15/h12H,1-11H2,(H,17,19)
InChIKeyNBXLWZXLXLWZEQ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.08
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (PubChem CID 3241233) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
PubChem CID3241233
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1csc2c1CCCCC2
InChIInChI=1S/C16H24N2O2S/c19-16(17-6-7-18-8-10-20-11-9-18)14-12-21-15-5-3-1-2-4-13(14)15/h12H,1-11H2,(H,17,19)
InChIKeyNBXLWZXLXLWZEQ-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide with MolForge

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Related Compounds

4-Biphenyl-4-yl-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10091931
4-(4-Cyclohexyl-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10408590
6-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3237196
N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3243403
6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3243959
N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3244633
N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 6618854
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzamide
CID 9550302
N-{3-[butyl(ethyl)amino]propyl}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 16193882
N-[3-(2,6-Dimethylpiperidin-1-YL)propyl]-4H,5H,6H,7H,8H-cyclohepta[B]thiophene-3-carboxamide
CID 20881880
4-ethyl-5-methyl-N-(2-methyl-2-morpholino-propyl)thiophene-2-carboxamide
CID 24981570
4-tert-butyl-N-[1-(morpholin-4-yl)-1-(thiophen-2-yl)propan-2-yl]benzamide
CID 16806519

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CID 3241233) is N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is O=C(NCCN1CCOCC1)c1csc2c1CCCCC2.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The InChIKey is NBXLWZXLXLWZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-16(17-6-7-18-8-10-20-11-9-18)14-12-21-15-5-3-1-2-4-13(14)15/h12H,1-11H2,(H,17,19).
What are the key properties of N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.08, 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-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is sourced from PubChem (CID 3241233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).