2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid

C11H14ClNO2S — CID 116908369

IUPAC2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCN(C)C(c1ccc(Cl)s1)C1CC1C(=O)O
InChIInChI=1S/C11H14ClNO2S/c1-13(2)10(6-5-7(6)11(14)15)8-3-4-9(12)16-8/h3-4,6-7,10H,5H2,1-2H3,(H,14,15)
InChIKeySTGUZFWRMLHOIF-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.72
Rot. Bonds4

About 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid

2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116908369) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID116908369
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCN(C)C(c1ccc(Cl)s1)C1CC1C(=O)O
InChIInChI=1S/C11H14ClNO2S/c1-13(2)10(6-5-7(6)11(14)15)8-3-4-9(12)16-8/h3-4,6-7,10H,5H2,1-2H3,(H,14,15)
InChIKeySTGUZFWRMLHOIF-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 116908350
2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042685
2-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid
CID 116908372
2-[2-(5-chlorothiophen-2-yl)propanoyl-cyclopropylamino]acetic acid
CID 120517629
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 114998144
4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783143
2-(5-chlorothiophen-2-yl)-N-methylpropanehydrazide
CID 116845748
1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056478
2-(5-chlorothiophen-2-yl)-2-cyclobutylacetic acid
CID 68972905
2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83925000
2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide
CID 116849788
2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol
CID 116913224

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid (CID 116908369) is 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid is CN(C)C(c1ccc(Cl)s1)C1CC1C(=O)O.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is STGUZFWRMLHOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-13(2)10(6-5-7(6)11(14)15)8-3-4-9(12)16-8/h3-4,6-7,10H,5H2,1-2H3,(H,14,15).
What are the key properties of 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid?
2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 259.76 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116908369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).