N-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide

C13H19N3O3S — CID 119764480

IUPACN-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide
SMILESO=C(NCCCNC(=O)C1CNCCO1)c1cccs1
InChIInChI=1S/C13H19N3O3S/c17-12(10-9-14-6-7-19-10)15-4-2-5-16-13(18)11-3-1-8-20-11/h1,3,8,10,14H,2,4-7,9H2,(H,15,17)(H,16,18)
InChIKeyHCJSCAMFSIAZNG-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.03
Rot. Bonds6

About N-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide

N-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide (PubChem CID 119764480) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide
PubChem CID119764480
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide
SMILESO=C(NCCCNC(=O)C1CNCCO1)c1cccs1
InChIInChI=1S/C13H19N3O3S/c17-12(10-9-14-6-7-19-10)15-4-2-5-16-13(18)11-3-1-8-20-11/h1,3,8,10,14H,2,4-7,9H2,(H,15,17)(H,16,18)
InChIKeyHCJSCAMFSIAZNG-UHFFFAOYSA-N
XLogP-0.03
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzamidoethyl)morpholine-2-carboxamide;hydrochloride
CID 119702761
N-(2-methyl-2-thiophen-2-ylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119787672
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870
N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide
CID 119783948
N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride
CID 154911195
N-[(1R)-1-thiophen-2-ylethyl]morpholine-2-carboxamide
CID 81408817
N-(3-piperidin-4-yloxypropyl)thiophene-2-carboxamide
CID 63870121
N-[2-(2-tert-butylphenoxy)ethyl]morpholine-2-carboxamide
CID 119780506
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]morpholine-2-carboxamide;hydrochloride
CID 155971486
N-(3-cyclopentylpropyl)morpholine-2-carboxamide
CID 113266264
N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide
CID 71645410
N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119706942

Frequently Asked Questions

What is the IUPAC name of N-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide?
The IUPAC name of N-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide (CID 119764480) is N-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide?
The canonical SMILES for N-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide is O=C(NCCCNC(=O)C1CNCCO1)c1cccs1.
What is the InChIKey of N-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide?
The InChIKey is HCJSCAMFSIAZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c17-12(10-9-14-6-7-19-10)15-4-2-5-16-13(18)11-3-1-8-20-11/h1,3,8,10,14H,2,4-7,9H2,(H,15,17)(H,16,18).
What are the key properties of N-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide?
N-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide is sourced from PubChem (CID 119764480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).