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

C10H12ClNO2S — CID 115242816

IUPAC1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCN(CC1(C(=O)O)CC1)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNO2S/c1-12(8-3-2-7(11)15-8)6-10(4-5-10)9(13)14/h2-3H,4-6H2,1H3,(H,13,14)
InChIKeyLSPPYGAODYNJLN-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.70
Rot. Bonds4

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

1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115242816) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115242816
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCN(CC1(C(=O)O)CC1)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNO2S/c1-12(8-3-2-7(11)15-8)6-10(4-5-10)9(13)14/h2-3H,4-6H2,1H3,(H,13,14)
InChIKeyLSPPYGAODYNJLN-UHFFFAOYSA-N
XLogP2.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chlorothiophen-2-yl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182952
1-[(5-chlorothiophen-2-yl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 65393039
1-[[(4-bromothiophen-2-yl)-methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246460
3-amino-4-[(5-chlorothiophen-2-yl)-methylamino]butanoic acid
CID 115241562
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid
CID 105415367
1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246509
N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine
CID 115226650
N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine
CID 91603998
1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115242988
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 115452737
1-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81166939
1-[(N,3-dimethylanilino)methyl]cyclohexane-1-carboxylic acid
CID 55055217

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid (CID 115242816) is 1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid is CN(CC1(C(=O)O)CC1)c1ccc(Cl)s1.
What is the InChIKey of 1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is LSPPYGAODYNJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-12(8-3-2-7(11)15-8)6-10(4-5-10)9(13)14/h2-3H,4-6H2,1H3,(H,13,14).
What are the key properties of 1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 245.73 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115242816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).