4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride

C10H16ClNOS — CID 19830109

IUPAC4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride
SMILESCN(C)CCC(=O)Cc1cccs1.Cl
InChIInChI=1S/C10H15NOS.ClH/c1-11(2)6-5-9(12)8-10-4-3-7-13-10;/h3-4,7H,5-6,8H2,1-2H3;1H
InChIKeyXWMUGOJHSAHPGN-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.23
Rot. Bonds5

About 4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride

4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride (PubChem CID 19830109) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride
PubChem CID19830109
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride
SMILESCN(C)CCC(=O)Cc1cccs1.Cl
InChIInChI=1S/C10H15NOS.ClH/c1-11(2)6-5-9(12)8-10-4-3-7-13-10;/h3-4,7H,5-6,8H2,1-2H3;1H
InChIKeyXWMUGOJHSAHPGN-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
1-thiophen-2-ylpentane-2,4-dione
CID 154402079
4-phenyl-1-thiophen-2-ylbutan-2-one
CID 61054077
5,5,5-trifluoro-1-thiophen-2-ylpentan-2-one
CID 64565094
4-propan-2-yloxy-1-thiophen-2-ylbutan-2-one
CID 115001827
1-thiophen-2-ylhexane-2,4-dione
CID 86201838
methyl 3-oxo-4-thiophen-2-ylbutanoate
CID 165358561
1-methylsulfonyl-3-thiophen-2-ylpropan-2-one
CID 62622490
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride
CID 67780593
N-[2-(dimethylamino)ethyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 70852374
N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide
CID 51362734

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride?
The IUPAC name of 4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride (CID 19830109) is 4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride is CN(C)CCC(=O)Cc1cccs1.Cl.
What is the InChIKey of 4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride?
The InChIKey is XWMUGOJHSAHPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS.ClH/c1-11(2)6-5-9(12)8-10-4-3-7-13-10;/h3-4,7H,5-6,8H2,1-2H3;1H.
What are the key properties of 4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride?
4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride has a molecular weight of 233.76 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-thiophen-2-ylbutan-2-one;hydrochloride is sourced from PubChem (CID 19830109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).