N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride

C16H25ClN2O2S — CID 6602895

IUPACN-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCOCC1)c1cc2c(s1)CCCC2
InChIInChI=1S/C16H24N2O2S.ClH/c19-16(15-12-13-4-1-2-5-14(13)21-15)17-6-3-7-18-8-10-20-11-9-18;/h12H,1-11H2,(H,17,19);1H
InChIKeyIBKJOMWXLSSIQW-UHFFFAOYSA-N
MW344.91 g/mol
LogP2.50
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride

N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 6602895) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID6602895
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC NameN-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCOCC1)c1cc2c(s1)CCCC2
InChIInChI=1S/C16H24N2O2S.ClH/c19-16(15-12-13-4-1-2-5-14(13)21-15)17-6-3-7-18-8-10-20-11-9-18;/h12H,1-11H2,(H,17,19);1H
InChIKeyIBKJOMWXLSSIQW-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride (CID 6602895) is N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride is Cl.O=C(NCCCN1CCOCC1)c1cc2c(s1)CCCC2.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is IBKJOMWXLSSIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S.ClH/c19-16(15-12-13-4-1-2-5-14(13)21-15)17-6-3-7-18-8-10-20-11-9-18;/h12H,1-11H2,(H,17,19);1H.
What are the key properties of N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride?
N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 344.91 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 6602895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).