N-[3-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride

C12H21ClN2OS — CID 3031119

IUPACN-[3-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride
SMILESCCC(=O)N(CCCN(C)C)c1cccs1.Cl
InChIInChI=1S/C12H20N2OS.ClH/c1-4-11(15)14(9-6-8-13(2)3)12-7-5-10-16-12;/h5,7,10H,4,6,8-9H2,1-3H3;1H
InChIKeyGZLIDVONIBMPRZ-UHFFFAOYSA-N
MW276.83 g/mol
LogP2.86
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride

N-[3-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride (PubChem CID 3031119) has the molecular formula C12H21ClN2OS and a molecular weight of 276.83 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride
PubChem CID3031119
Molecular FormulaC12H21ClN2OS
Molecular Weight276.83 g/mol
Exact Mass276.11
IUPAC NameN-[3-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride
SMILESCCC(=O)N(CCCN(C)C)c1cccs1.Cl
InChIInChI=1S/C12H20N2OS.ClH/c1-4-11(15)14(9-6-8-13(2)3)12-7-5-10-16-12;/h5,7,10H,4,6,8-9H2,1-3H3;1H
InChIKeyGZLIDVONIBMPRZ-UHFFFAOYSA-N
XLogP2.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.83
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride (CID 3031119) is N-[3-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride is CCC(=O)N(CCCN(C)C)c1cccs1.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride?
The InChIKey is GZLIDVONIBMPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS.ClH/c1-4-11(15)14(9-6-8-13(2)3)12-7-5-10-16-12;/h5,7,10H,4,6,8-9H2,1-3H3;1H.
What are the key properties of N-[3-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride?
N-[3-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride has a molecular weight of 276.83 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-thiophen-2-ylpropanamide;hydrochloride is sourced from PubChem (CID 3031119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).