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

C11H17NO4S2 — CID 103256258

IUPAC5-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCC(C)(CNCc1ccc(C(=O)O)s1)S(C)(=O)=O
InChIInChI=1S/C11H17NO4S2/c1-11(2,18(3,15)16)7-12-6-8-4-5-9(17-8)10(13)14/h4-5,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyLMRBGCVCILREBQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.36
Rot. Bonds6

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

5-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 103256258) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID103256258
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Name5-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCC(C)(CNCc1ccc(C(=O)O)s1)S(C)(=O)=O
InChIInChI=1S/C11H17NO4S2/c1-11(2,18(3,15)16)7-12-6-8-4-5-9(17-8)10(13)14/h4-5,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyLMRBGCVCILREBQ-UHFFFAOYSA-N
XLogP1.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-methylsulfonylpropylamino)methyl]thiophene-2-carboxylic acid
CID 103242041
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103237529
5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103238410
5-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103261480
5-[[(3-methoxy-3-oxopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103240357
5-[(3-hydroxybutylamino)methyl]thiophene-2-carboxylic acid
CID 103254166
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110563
5-[(methoxyamino)methyl]thiophene-2-carboxylic acid
CID 103254308
5-[[[2-methyl-3-(1-methylpiperidin-4-yl)oxy-3-oxo-2-phenylpropyl]amino]methyl]thiophene-2-carboxylic acid
CID 154498155
5-[(pent-3-ynylamino)methyl]thiophene-2-carboxylic acid
CID 103266554
5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
CID 84680344
5-[(2-phenylpropylamino)methyl]thiophene-2-carboxylic acid
CID 20890240

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]thiophene-2-carboxylic acid (CID 103256258) is 5-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]thiophene-2-carboxylic acid is CC(C)(CNCc1ccc(C(=O)O)s1)S(C)(=O)=O.
What is the InChIKey of 5-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is LMRBGCVCILREBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-11(2,18(3,15)16)7-12-6-8-4-5-9(17-8)10(13)14/h4-5,12H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 5-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]thiophene-2-carboxylic acid?
5-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103256258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).