5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid

C13H20N2O4S2 — CID 43361340

IUPAC5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)N2CC(C)CC(C)C2)sc1C(=O)O
InChIInChI=1S/C13H20N2O4S2/c1-8-4-9(2)7-15(6-8)21(18,19)14-11-5-10(3)12(20-11)13(16)17/h5,8-9,14H,4,6-7H2,1-3H3,(H,16,17)
InChIKeyVIYSMBNGCHGBEA-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.39
Rot. Bonds4

About 5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid

5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid (PubChem CID 43361340) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
PubChem CID43361340
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)N2CC(C)CC(C)C2)sc1C(=O)O
InChIInChI=1S/C13H20N2O4S2/c1-8-4-9(2)7-15(6-8)21(18,19)14-11-5-10(3)12(20-11)13(16)17/h5,8-9,14H,4,6-7H2,1-3H3,(H,16,17)
InChIKeyVIYSMBNGCHGBEA-UHFFFAOYSA-N
XLogP2.39
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid
CID 63857124
3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64528474
5-[(1,1-dioxothian-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 62084936
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771942
5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43361345
5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
CID 43361342
3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
CID 114915204
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid
CID 104958042
5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43123347
5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43343916
5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
CID 114814326
3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid
CID 79594958

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid (CID 43361340) is 5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NS(=O)(=O)N2CC(C)CC(C)C2)sc1C(=O)O.
What is the InChIKey of 5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is VIYSMBNGCHGBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-8-4-9(2)7-15(6-8)21(18,19)14-11-5-10(3)12(20-11)13(16)17/h5,8-9,14H,4,6-7H2,1-3H3,(H,16,17).
What are the key properties of 5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 332.45 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43361340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).