N-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride

C13H22ClN3O2S — CID 3078789

IUPACN-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1sccc1N(CCCN(C)C)C(C)=O.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-10(17)14-13-12(6-9-19-13)16(11(2)18)8-5-7-15(3)4;/h6,9H,5,7-8H2,1-4H3,(H,14,17);1H
InChIKeyXMAGVVVQVNKMQR-UHFFFAOYSA-N
MW319.86 g/mol
LogP2.43
Rot. Bonds6

About N-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride

N-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride (PubChem CID 3078789) has the molecular formula C13H22ClN3O2S and a molecular weight of 319.86 g/mol. Its IUPAC name is N-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride
PubChem CID3078789
Molecular FormulaC13H22ClN3O2S
Molecular Weight319.86 g/mol
Exact Mass319.11
IUPAC NameN-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1sccc1N(CCCN(C)C)C(C)=O.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-10(17)14-13-12(6-9-19-13)16(11(2)18)8-5-7-15(3)4;/h6,9H,5,7-8H2,1-4H3,(H,14,17);1H
InChIKeyXMAGVVVQVNKMQR-UHFFFAOYSA-N
XLogP2.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride (CID 3078789) is N-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride is CC(=O)Nc1sccc1N(CCCN(C)C)C(C)=O.Cl.
What is the InChIKey of N-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride?
The InChIKey is XMAGVVVQVNKMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S.ClH/c1-10(17)14-13-12(6-9-19-13)16(11(2)18)8-5-7-15(3)4;/h6,9H,5,7-8H2,1-4H3,(H,14,17);1H.
What are the key properties of N-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride?
N-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride has a molecular weight of 319.86 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl-[3-(dimethylamino)propyl]amino]thiophen-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 3078789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).