5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid

C10H15N3O4S2 — CID 122106742

IUPAC5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(c2ncc(S(N)(=O)=O)s2)C1
InChIInChI=1S/C10H15N3O4S2/c1-6-2-7(9(14)15)5-13(4-6)10-12-3-8(18-10)19(11,16)17/h3,6-7H,2,4-5H2,1H3,(H,14,15)(H2,11,16,17)
InChIKeyCHPJTCHEZRFKRK-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.34
Rot. Bonds3

About 5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid

5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid (PubChem CID 122106742) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
PubChem CID122106742
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC Name5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(c2ncc(S(N)(=O)=O)s2)C1
InChIInChI=1S/C10H15N3O4S2/c1-6-2-7(9(14)15)5-13(4-6)10-12-3-8(18-10)19(11,16)17/h3,6-7H,2,4-5H2,1H3,(H,14,15)(H2,11,16,17)
InChIKeyCHPJTCHEZRFKRK-UHFFFAOYSA-N
XLogP0.34
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-(5-nitro-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 122106877
methyl 4-(5-sulfamoyl-1,3-thiazol-2-yl)-1,4-thiazepane-6-carboxylate
CID 146092473
1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106508
5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 122106606
2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
CID 133363012
1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106616
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide
CID 133355060
1-(5-amino-1,3-thiazol-2-yl)-5-methylpiperidin-3-ol
CID 130802698
2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
CID 95288282
5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122106917
1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid
CID 122064404
5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 122106763

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid (CID 122106742) is 5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(c2ncc(S(N)(=O)=O)s2)C1.
What is the InChIKey of 5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
The InChIKey is CHPJTCHEZRFKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c1-6-2-7(9(14)15)5-13(4-6)10-12-3-8(18-10)19(11,16)17/h3,6-7H,2,4-5H2,1H3,(H,14,15)(H2,11,16,17).
What are the key properties of 5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid?
5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122106742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).