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

C9H14ClNOS — CID 68828667

IUPAC1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride
SMILESCC(=O)C(c1cccs1)N(C)C.Cl
InChIInChI=1S/C9H13NOS.ClH/c1-7(11)9(10(2)3)8-5-4-6-12-8;/h4-6,9H,1-3H3;1H
InChIKeyXFCYNVMRFCLCBP-UHFFFAOYSA-N
MW219.74 g/mol
LogP2.36
Rot. Bonds3

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

1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride (PubChem CID 68828667) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is 1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride.

Molecular Properties

Compound Name1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride
PubChem CID68828667
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride
SMILESCC(=O)C(c1cccs1)N(C)C.Cl
InChIInChI=1S/C9H13NOS.ClH/c1-7(11)9(10(2)3)8-5-4-6-12-8;/h4-6,9H,1-3H3;1H
InChIKeyXFCYNVMRFCLCBP-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride
CID 70036600
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
1-hydroxy-1-thiophen-2-ylpropan-2-one
CID 15048018
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
N',N'-dimethyl-1-thiophen-2-ylmethanediamine
CID 116909030
3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride
CID 87694662
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
CID 110663586
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
(2R)-2-amino-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119291307
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830043
(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 141411439

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride?
The IUPAC name of 1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride (CID 68828667) is 1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride.
What is the SMILES notation for 1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride?
The canonical SMILES for 1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride is CC(=O)C(c1cccs1)N(C)C.Cl.
What is the InChIKey of 1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride?
The InChIKey is XFCYNVMRFCLCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS.ClH/c1-7(11)9(10(2)3)8-5-4-6-12-8;/h4-6,9H,1-3H3;1H.
What are the key properties of 1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride?
1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride has a molecular weight of 219.74 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride is sourced from PubChem (CID 68828667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).