3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid

C12H18N2O5S2 — CID 114915204

IUPAC3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H18N2O5S2/c1-7-6-20-11(12(15)16)10(7)13-21(17,18)14-4-8(2)19-9(3)5-14/h6,8-9,13H,4-5H2,1-3H3,(H,15,16)
InChIKeyPEEYWAOVTPEILI-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.52
Rot. Bonds4

About 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid

3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid (PubChem CID 114915204) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
PubChem CID114915204
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H18N2O5S2/c1-7-6-20-11(12(15)16)10(7)13-21(17,18)14-4-8(2)19-9(3)5-14/h6,8-9,13H,4-5H2,1-3H3,(H,15,16)
InChIKeyPEEYWAOVTPEILI-UHFFFAOYSA-N
XLogP1.52
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-methyl-3-(morpholin-4-ylsulfonylamino)thiophene-2-carboxylate
CID 114916490
methyl 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-methylthiophene-2-carboxylate
CID 102747496
3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid
CID 114915284
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid
CID 104958042
3-(cyclohexylmethylsulfonylamino)-4-methylthiophene-2-carboxylic acid
CID 114915193
2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652537
5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43361340
2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide
CID 43604137
5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 79993346
3-(3,4-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophene-2-carboxylic acid
CID 102749382
N,2,6-trimethylmorpholine-4-sulfonamide
CID 43242358
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 95337073

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid (CID 114915204) is 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NS(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid?
The InChIKey is PEEYWAOVTPEILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-7-6-20-11(12(15)16)10(7)13-21(17,18)14-4-8(2)19-9(3)5-14/h6,8-9,13H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid?
3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114915204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).