(2S)-2-methyl-4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carboxylic acid

C11H16N4O4S — CID 134499867

IUPAC(2S)-2-methyl-4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carboxylic acid
SMILESC[C@H]1CN(c2ncccc2S(N)(=O)=O)CCN1C(=O)O
InChIInChI=1S/C11H16N4O4S/c1-8-7-14(5-6-15(8)11(16)17)10-9(20(12,18)19)3-2-4-13-10/h2-4,8H,5-7H2,1H3,(H,16,17)(H2,12,18,19)/t8-/m0/s1
InChIKeyWKFKKAIINFFHBZ-QMMMGPOBSA-N
MW300.34 g/mol
LogP-0.08
Rot. Bonds2

About (2S)-2-methyl-4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carboxylic acid

(2S)-2-methyl-4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carboxylic acid (PubChem CID 134499867) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is (2S)-2-methyl-4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-methyl-4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carboxylic acid
PubChem CID134499867
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name(2S)-2-methyl-4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carboxylic acid
SMILESC[C@H]1CN(c2ncccc2S(N)(=O)=O)CCN1C(=O)O
InChIInChI=1S/C11H16N4O4S/c1-8-7-14(5-6-15(8)11(16)17)10-9(20(12,18)19)3-2-4-13-10/h2-4,8H,5-7H2,1H3,(H,16,17)(H2,12,18,19)/t8-/m0/s1
InChIKeyWKFKKAIINFFHBZ-QMMMGPOBSA-N
XLogP-0.08
TPSA116.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-4-[6-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-3,5-dimethylpyridine-2-carbonyl]-3-methylpiperazin-1-yl]pyridine-3-sulfonamide
CID 155322647
2-[(3S)-4-[3-(2-cyano-N-piperidin-4-ylanilino)-2,4,6-trimethylbenzoyl]-3-methylpiperazin-1-yl]pyridine-3-sulfonamide
CID 134499852
3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol
CID 114680845
2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-3-sulfonamide
CID 133379318
2-[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 114598312
(2R)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
CID 68727716
2-(3-indazol-1-ylpyrrolidin-1-yl)pyridine-3-sulfonamide
CID 154752295
2-[4-[(S)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-3-sulfonamide
CID 96532543
2-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 106742544
(2S)-N-(4-tert-butylphenyl)-4-[3-(dimethylamino)-2-pyridinyl]-2-methylpiperazine-1-carboxamide
CID 142660233
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide
CID 133334856
[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]methanone
CID 15987211

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carboxylic acid?
The IUPAC name of (2S)-2-methyl-4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carboxylic acid (CID 134499867) is (2S)-2-methyl-4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-methyl-4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carboxylic acid?
The canonical SMILES for (2S)-2-methyl-4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carboxylic acid is C[C@H]1CN(c2ncccc2S(N)(=O)=O)CCN1C(=O)O.
What is the InChIKey of (2S)-2-methyl-4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carboxylic acid?
The InChIKey is WKFKKAIINFFHBZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-8-7-14(5-6-15(8)11(16)17)10-9(20(12,18)19)3-2-4-13-10/h2-4,8H,5-7H2,1H3,(H,16,17)(H2,12,18,19)/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carboxylic acid?
(2S)-2-methyl-4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-(3-sulfamoyl-2-pyridinyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 134499867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).