5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid

C10H13NO2S — CID 103263988

IUPAC5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCC1(NCc2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C10H13NO2S/c1-10(4-5-10)11-6-7-2-3-8(14-7)9(12)13/h2-3,11H,4-6H2,1H3,(H,12,13)
InChIKeyBKLRSZZHWIVKCE-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.09
Rot. Bonds4

About 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid

5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 103263988) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID103263988
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCC1(NCc2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C10H13NO2S/c1-10(4-5-10)11-6-7-2-3-8(14-7)9(12)13/h2-3,11H,4-6H2,1H3,(H,12,13)
InChIKeyBKLRSZZHWIVKCE-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(1-methylcyclohexyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 114095055
5-[(methoxyamino)methyl]thiophene-2-carboxylic acid
CID 103254308
5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
CID 84680344
5-[[(1-ethylcyclohexanecarbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110239
5-(iodomethyl)thiophene-2-carboxylic acid
CID 89145755
5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid
CID 103238535
5-[[(1-prop-2-enylcyclobutanecarbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110257
1-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 61365192
5-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103261480
5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]thiophene-2-carboxylic acid
CID 106102577
N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765786
N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365000

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid (CID 103263988) is 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid is CC1(NCc2ccc(C(=O)O)s2)CC1.
What is the InChIKey of 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is BKLRSZZHWIVKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-10(4-5-10)11-6-7-2-3-8(14-7)9(12)13/h2-3,11H,4-6H2,1H3,(H,12,13).
What are the key properties of 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid?
5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methylcyclopropyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103263988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).