1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid

C13H21N3O4S2 — CID 146092790

IUPAC1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
SMILESCCc1cnc(CCNS(=O)(=O)N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C13H21N3O4S2/c1-2-11-8-14-12(21-11)5-6-15-22(19,20)16-7-3-4-10(9-16)13(17)18/h8,10,15H,2-7,9H2,1H3,(H,17,18)
InChIKeyVOMAANAGUKVBTO-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.88
Rot. Bonds7

About 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid

1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid (PubChem CID 146092790) has the molecular formula C13H21N3O4S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
PubChem CID146092790
Molecular FormulaC13H21N3O4S2
Molecular Weight347.46 g/mol
Exact Mass347.10
IUPAC Name1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
SMILESCCc1cnc(CCNS(=O)(=O)N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C13H21N3O4S2/c1-2-11-8-14-12(21-11)5-6-15-22(19,20)16-7-3-4-10(9-16)13(17)18/h8,10,15H,2-7,9H2,1H3,(H,17,18)
InChIKeyVOMAANAGUKVBTO-UHFFFAOYSA-N
XLogP0.88
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 71997194
1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 78979343
1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 103004707
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 71997185
1-(3-butoxypropylsulfamoyl)piperidine-3-carboxylic acid
CID 115596236
1-[(5-bromothiophen-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 61012712

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid (CID 146092790) is 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid is CCc1cnc(CCNS(=O)(=O)N2CCCC(C(=O)O)C2)s1.
What is the InChIKey of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is VOMAANAGUKVBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S2/c1-2-11-8-14-12(21-11)5-6-15-22(19,20)16-7-3-4-10(9-16)13(17)18/h8,10,15H,2-7,9H2,1H3,(H,17,18).
What are the key properties of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 347.46 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 146092790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).