4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid

C12H17N3O4S2 — CID 103340906

IUPAC4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccc(N2CCSCC2C(=O)O)nc1
InChIInChI=1S/C12H17N3O4S2/c1-14(2)21(18,19)9-3-4-11(13-7-9)15-5-6-20-8-10(15)12(16)17/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,17)
InChIKeySRYHJQJRYVCUII-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.34
Rot. Bonds4

About 4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid

4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid (PubChem CID 103340906) has the molecular formula C12H17N3O4S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid
PubChem CID103340906
Molecular FormulaC12H17N3O4S2
Molecular Weight331.42 g/mol
Exact Mass331.07
IUPAC Name4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccc(N2CCSCC2C(=O)O)nc1
InChIInChI=1S/C12H17N3O4S2/c1-14(2)21(18,19)9-3-4-11(13-7-9)15-5-6-20-8-10(15)12(16)17/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,17)
InChIKeySRYHJQJRYVCUII-UHFFFAOYSA-N
XLogP0.34
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 103340811
(2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059850
6-(4-hydroxy-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103761642
4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid
CID 82904167
6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 103341245
4-(6-cyano-5-nitro-2-pyridinyl)thiomorpholine-3-carboxylic acid
CID 103470090
6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 97221231
4-(5-fluoropyrimidin-2-yl)thiomorpholine-3-carboxylic acid
CID 104606020
4-(6-propan-2-ylpyrimidin-4-yl)thiomorpholine-3-carboxylic acid
CID 82904493
4-(5-methoxycarbonyl-6-methyl-2-pyridinyl)thiomorpholine-3-carboxylic acid
CID 82904565
6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341441
6-(3-chloro-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341456

Frequently Asked Questions

What is the IUPAC name of 4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid (CID 103340906) is 4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid is CN(C)S(=O)(=O)c1ccc(N2CCSCC2C(=O)O)nc1.
What is the InChIKey of 4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid?
The InChIKey is SRYHJQJRYVCUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S2/c1-14(2)21(18,19)9-3-4-11(13-7-9)15-5-6-20-8-10(15)12(16)17/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid?
4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid has a molecular weight of 331.42 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 103340906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).