3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydron;chloride

C9H14ClNOS — CID 74765018

IUPAC3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydron;chloride
SMILESCN(C)CCC(=O)c1cccs1.[Cl-].[H+]
InChIInChI=1S/C9H13NOS.ClH/c1-10(2)6-5-8(11)9-4-3-7-12-9;/h3-4,7H,5-6H2,1-2H3;1H
InChIKeyHPVHJPMLORARSR-UHFFFAOYSA-N
MW219.74 g/mol
LogP-1.00
Rot. Bonds4

About 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydron;chloride

3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydron;chloride (PubChem CID 74765018) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydron;chloride.

Molecular Properties

Compound Name3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydron;chloride
PubChem CID74765018
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydron;chloride
SMILESCN(C)CCC(=O)c1cccs1.[Cl-].[H+]
InChIInChI=1S/C9H13NOS.ClH/c1-10(2)6-5-8(11)9-4-3-7-12-9;/h3-4,7H,5-6H2,1-2H3;1H
InChIKeyHPVHJPMLORARSR-UHFFFAOYSA-N
XLogP-1.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydron;chloride?
The IUPAC name of 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydron;chloride (CID 74765018) is 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydron;chloride.
What is the SMILES notation for 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydron;chloride?
The canonical SMILES for 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydron;chloride is CN(C)CCC(=O)c1cccs1.[Cl-].[H+].
What is the InChIKey of 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydron;chloride?
The InChIKey is HPVHJPMLORARSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS.ClH/c1-10(2)6-5-8(11)9-4-3-7-12-9;/h3-4,7H,5-6H2,1-2H3;1H.
What are the key properties of 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydron;chloride?
3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydron;chloride has a molecular weight of 219.74 g/mol, XLogP of -1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydron;chloride is sourced from PubChem (CID 74765018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).