N-(1-benzothiophen-3-yl)morpholine-3-carboxamide

C13H14N2O2S — CID 115177568

IUPACN-(1-benzothiophen-3-yl)morpholine-3-carboxamide
SMILESO=C(Nc1csc2ccccc12)C1COCCN1
InChIInChI=1S/C13H14N2O2S/c16-13(10-7-17-6-5-14-10)15-11-8-18-12-4-2-1-3-9(11)12/h1-4,8,10,14H,5-7H2,(H,15,16)
InChIKeyUAJNIMRVRCHTQG-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.83
Rot. Bonds2

About N-(1-benzothiophen-3-yl)morpholine-3-carboxamide

N-(1-benzothiophen-3-yl)morpholine-3-carboxamide (PubChem CID 115177568) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(1-benzothiophen-3-yl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-yl)morpholine-3-carboxamide
PubChem CID115177568
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(1-benzothiophen-3-yl)morpholine-3-carboxamide
SMILESO=C(Nc1csc2ccccc12)C1COCCN1
InChIInChI=1S/C13H14N2O2S/c16-13(10-7-17-6-5-14-10)15-11-8-18-12-4-2-1-3-9(11)12/h1-4,8,10,14H,5-7H2,(H,15,16)
InChIKeyUAJNIMRVRCHTQG-UHFFFAOYSA-N
XLogP1.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide
CID 96998659
N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119399897
N-(2-methyl-3-pyridinyl)morpholine-3-carboxamide
CID 79043286
N-(2,6-dibromophenyl)morpholine-3-carboxamide
CID 107599564
N-(4-methoxy-2,3-dimethylphenyl)morpholine-3-carboxamide
CID 115177555
N-(5-bromothiophen-2-yl)morpholine-3-carboxamide
CID 115177539
N-(1-benzyl-2-oxo-3-pyridinyl)morpholine-3-carboxamide
CID 119811008
N-(2-bromo-5-methylphenyl)morpholine-3-carboxamide
CID 82757225
N-(4-phenoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 75422319
N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 119709153
N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119759053
(3S)-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]morpholine-3-carboxamide
CID 124681532

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-yl)morpholine-3-carboxamide?
The IUPAC name of N-(1-benzothiophen-3-yl)morpholine-3-carboxamide (CID 115177568) is N-(1-benzothiophen-3-yl)morpholine-3-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-3-yl)morpholine-3-carboxamide?
The canonical SMILES for N-(1-benzothiophen-3-yl)morpholine-3-carboxamide is O=C(Nc1csc2ccccc12)C1COCCN1.
What is the InChIKey of N-(1-benzothiophen-3-yl)morpholine-3-carboxamide?
The InChIKey is UAJNIMRVRCHTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-13(10-7-17-6-5-14-10)15-11-8-18-12-4-2-1-3-9(11)12/h1-4,8,10,14H,5-7H2,(H,15,16).
What are the key properties of N-(1-benzothiophen-3-yl)morpholine-3-carboxamide?
N-(1-benzothiophen-3-yl)morpholine-3-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-yl)morpholine-3-carboxamide is sourced from PubChem (CID 115177568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).