N-[3-(diethylamino)propyl]thiophene-2-carboxamide

C12H20N2OS — CID 3428300

IUPACN-[3-(diethylamino)propyl]thiophene-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cccs1
InChIInChI=1S/C12H20N2OS/c1-3-14(4-2)9-6-8-13-12(15)11-7-5-10-16-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,13,15)
InChIKeyHNJQWDQLHLPOMK-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.21
Rot. Bonds7

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

N-[3-(diethylamino)propyl]thiophene-2-carboxamide (PubChem CID 3428300) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]thiophene-2-carboxamide
PubChem CID3428300
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[3-(diethylamino)propyl]thiophene-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cccs1
InChIInChI=1S/C12H20N2OS/c1-3-14(4-2)9-6-8-13-12(15)11-7-5-10-16-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,13,15)
InChIKeyHNJQWDQLHLPOMK-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(diethylamino)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]thiophene-2-carboxamide (CID 3428300) is N-[3-(diethylamino)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]thiophene-2-carboxamide is CCN(CC)CCCNC(=O)c1cccs1.
What is the InChIKey of N-[3-(diethylamino)propyl]thiophene-2-carboxamide?
The InChIKey is HNJQWDQLHLPOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-14(4-2)9-6-8-13-12(15)11-7-5-10-16-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,13,15).
What are the key properties of N-[3-(diethylamino)propyl]thiophene-2-carboxamide?
N-[3-(diethylamino)propyl]thiophene-2-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 3428300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).