N-[2-(propylamino)ethyl]thiophene-3-carboxamide

C10H16N2OS — CID 62658821

IUPACN-[2-(propylamino)ethyl]thiophene-3-carboxamide
SMILESCCCNCCNC(=O)c1ccsc1
InChIInChI=1S/C10H16N2OS/c1-2-4-11-5-6-12-10(13)9-3-7-14-8-9/h3,7-8,11H,2,4-6H2,1H3,(H,12,13)
InChIKeyBBUTYNFMDHUHDW-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.48
Rot. Bonds6

About N-[2-(propylamino)ethyl]thiophene-3-carboxamide

N-[2-(propylamino)ethyl]thiophene-3-carboxamide (PubChem CID 62658821) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-[2-(propylamino)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(propylamino)ethyl]thiophene-3-carboxamide
PubChem CID62658821
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-[2-(propylamino)ethyl]thiophene-3-carboxamide
SMILESCCCNCCNC(=O)c1ccsc1
InChIInChI=1S/C10H16N2OS/c1-2-4-11-5-6-12-10(13)9-3-7-14-8-9/h3,7-8,11H,2,4-6H2,1H3,(H,12,13)
InChIKeyBBUTYNFMDHUHDW-UHFFFAOYSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119506031
N-[2-(diethylamino)ethyl]thiophene-3-carboxamide
CID 47007987
4-bromo-N-[2-(propylamino)ethyl]benzamide
CID 62658628
N-[9-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]nonyl]thiophene-3-carboxamide
CID 171471382
N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134006121
N-(4-hydroxypentyl)thiophene-3-carboxamide
CID 107299586
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide
CID 95167795
3,4-dihydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107728714
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
4-cyano-N-[2-(propylamino)ethyl]benzamide
CID 55100867
2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate
CID 86913899

Frequently Asked Questions

What is the IUPAC name of N-[2-(propylamino)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(propylamino)ethyl]thiophene-3-carboxamide (CID 62658821) is N-[2-(propylamino)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(propylamino)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(propylamino)ethyl]thiophene-3-carboxamide is CCCNCCNC(=O)c1ccsc1.
What is the InChIKey of N-[2-(propylamino)ethyl]thiophene-3-carboxamide?
The InChIKey is BBUTYNFMDHUHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-4-11-5-6-12-10(13)9-3-7-14-8-9/h3,7-8,11H,2,4-6H2,1H3,(H,12,13).
What are the key properties of N-[2-(propylamino)ethyl]thiophene-3-carboxamide?
N-[2-(propylamino)ethyl]thiophene-3-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propylamino)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 62658821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).