3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride

C10H16ClNOS — CID 12704418

IUPAC3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride
SMILESCC(CN(C)C)C(=O)c1cccs1.Cl
InChIInChI=1S/C10H15NOS.ClH/c1-8(7-11(2)3)10(12)9-5-4-6-13-9;/h4-6,8H,7H2,1-3H3;1H
InChIKeyJRYJVSZTTCIVMK-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.55
Rot. Bonds4

About 3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride

3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride (PubChem CID 12704418) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride
PubChem CID12704418
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride
SMILESCC(CN(C)C)C(=O)c1cccs1.Cl
InChIInChI=1S/C10H15NOS.ClH/c1-8(7-11(2)3)10(12)9-5-4-6-13-9;/h4-6,8H,7H2,1-3H3;1H
InChIKeyJRYJVSZTTCIVMK-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride (CID 12704418) is 3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride is CC(CN(C)C)C(=O)c1cccs1.Cl.
What is the InChIKey of 3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride?
The InChIKey is JRYJVSZTTCIVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS.ClH/c1-8(7-11(2)3)10(12)9-5-4-6-13-9;/h4-6,8H,7H2,1-3H3;1H.
What are the key properties of 3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride?
3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride has a molecular weight of 233.76 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methyl-1-thiophen-2-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 12704418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).