5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid

C12H18N4O4S — CID 129470217

IUPAC5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESCN(C)S(=O)(=O)[C@H]1CCCN(c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C12H18N4O4S/c1-15(2)21(19,20)9-4-3-5-16(8-9)11-7-13-10(6-14-11)12(17)18/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyNJTJDSZYVJIVEW-VIFPVBQESA-N
MW314.37 g/mol
LogP0.04
Rot. Bonds4

About 5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid

5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 129470217) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID129470217
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESCN(C)S(=O)(=O)[C@H]1CCCN(c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C12H18N4O4S/c1-15(2)21(19,20)9-4-3-5-16(8-9)11-7-13-10(6-14-11)12(17)18/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyNJTJDSZYVJIVEW-VIFPVBQESA-N
XLogP0.04
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122048917
5-[3-(azepan-1-ylmethyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122053599
5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122054898
(4-methylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109275074
5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 166507581
5-(6-methyl-1,4-thiazepan-4-yl)pyrazine-2-carboxylic acid
CID 122051928
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 175889178
CID 175963719
CID 175963719
5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 115490992
5-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid
CID 122052854

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid (CID 129470217) is 5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid is CN(C)S(=O)(=O)[C@H]1CCCN(c2cnc(C(=O)O)cn2)C1.
What is the InChIKey of 5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is NJTJDSZYVJIVEW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-15(2)21(19,20)9-4-3-5-16(8-9)11-7-13-10(6-14-11)12(17)18/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)/t9-/m0/s1.
What are the key properties of 5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid?
5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 314.37 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-(dimethylsulfamoyl)piperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 129470217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).