N-[2-(dimethylamino)ethyl]-N-thiophen-2-ylpropanamide;hydrochloride

C11H19ClN2OS — CID 3031112

IUPACN-[2-(dimethylamino)ethyl]-N-thiophen-2-ylpropanamide;hydrochloride
SMILESCCC(=O)N(CCN(C)C)c1cccs1.Cl
InChIInChI=1S/C11H18N2OS.ClH/c1-4-10(14)13(8-7-12(2)3)11-6-5-9-15-11;/h5-6,9H,4,7-8H2,1-3H3;1H
InChIKeyCZTGALQGHKUJNU-UHFFFAOYSA-N
MW262.81 g/mol
LogP2.47
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-thiophen-2-ylpropanamide;hydrochloride

N-[2-(dimethylamino)ethyl]-N-thiophen-2-ylpropanamide;hydrochloride (PubChem CID 3031112) has the molecular formula C11H19ClN2OS and a molecular weight of 262.81 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-thiophen-2-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-thiophen-2-ylpropanamide;hydrochloride
PubChem CID3031112
Molecular FormulaC11H19ClN2OS
Molecular Weight262.81 g/mol
Exact Mass262.09
IUPAC NameN-[2-(dimethylamino)ethyl]-N-thiophen-2-ylpropanamide;hydrochloride
SMILESCCC(=O)N(CCN(C)C)c1cccs1.Cl
InChIInChI=1S/C11H18N2OS.ClH/c1-4-10(14)13(8-7-12(2)3)11-6-5-9-15-11;/h5-6,9H,4,7-8H2,1-3H3;1H
InChIKeyCZTGALQGHKUJNU-UHFFFAOYSA-N
XLogP2.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.81
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-thiophen-2-ylpropanamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-thiophen-2-ylpropanamide;hydrochloride (CID 3031112) is N-[2-(dimethylamino)ethyl]-N-thiophen-2-ylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-thiophen-2-ylpropanamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-thiophen-2-ylpropanamide;hydrochloride is CCC(=O)N(CCN(C)C)c1cccs1.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-thiophen-2-ylpropanamide;hydrochloride?
The InChIKey is CZTGALQGHKUJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS.ClH/c1-4-10(14)13(8-7-12(2)3)11-6-5-9-15-11;/h5-6,9H,4,7-8H2,1-3H3;1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-thiophen-2-ylpropanamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-N-thiophen-2-ylpropanamide;hydrochloride has a molecular weight of 262.81 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-thiophen-2-ylpropanamide;hydrochloride is sourced from PubChem (CID 3031112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).