N-(morpholin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C14H18N2O2S — CID 103548426

IUPACN-(morpholin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1COCCN1)C1Cc2ccccc2S1
InChIInChI=1S/C14H18N2O2S/c17-14(16-8-11-9-18-6-5-15-11)13-7-10-3-1-2-4-12(10)19-13/h1-4,11,13,15H,5-9H2,(H,16,17)
InChIKeyHDRGDSANNTVMKG-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.81
Rot. Bonds3

About N-(morpholin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(morpholin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 103548426) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(morpholin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(morpholin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID103548426
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(morpholin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1COCCN1)C1Cc2ccccc2S1
InChIInChI=1S/C14H18N2O2S/c17-14(16-8-11-9-18-6-5-15-11)13-7-10-3-1-2-4-12(10)19-13/h1-4,11,13,15H,5-9H2,(H,16,17)
InChIKeyHDRGDSANNTVMKG-UHFFFAOYSA-N
XLogP0.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 115323700
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 115363885
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18134735
N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
2-hydroxy-N-(morpholin-3-ylmethyl)-2-phenylacetamide
CID 103548723
N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217959
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217188
N-(4-aminobutyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214512
N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51311123

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(morpholin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 103548426) is N-(morpholin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(morpholin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(morpholin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(NCC1COCCN1)C1Cc2ccccc2S1.
What is the InChIKey of N-(morpholin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is HDRGDSANNTVMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-14(16-8-11-9-18-6-5-15-11)13-7-10-3-1-2-4-12(10)19-13/h1-4,11,13,15H,5-9H2,(H,16,17).
What are the key properties of N-(morpholin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(morpholin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 0.81, 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)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 103548426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).