methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate

C11H15ClN4O4S — CID 107596042

IUPACmethyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)Nc2cnc(Cl)cn2)CC1
InChIInChI=1S/C11H15ClN4O4S/c1-20-11(17)8-2-4-16(5-3-8)21(18,19)15-10-7-13-9(12)6-14-10/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyUAOFMWRBNJJETC-UHFFFAOYSA-N
MW334.79 g/mol
LogP0.67
Rot. Bonds4

About methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate

methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate (PubChem CID 107596042) has the molecular formula C11H15ClN4O4S and a molecular weight of 334.79 g/mol. Its IUPAC name is methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate
PubChem CID107596042
Molecular FormulaC11H15ClN4O4S
Molecular Weight334.79 g/mol
Exact Mass334.05
IUPAC Namemethyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)Nc2cnc(Cl)cn2)CC1
InChIInChI=1S/C11H15ClN4O4S/c1-20-11(17)8-2-4-16(5-3-8)21(18,19)15-10-7-13-9(12)6-14-10/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyUAOFMWRBNJJETC-UHFFFAOYSA-N
XLogP0.67
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 35298247
methyl 1-[(2-aminophenyl)sulfamoyl]piperidine-4-carboxylate
CID 43605594
1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65482449
methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate
CID 107596045
(2S)-2-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-3-methylbutanoic acid
CID 61136238
methyl 1-[(6-chloro-3-pyridinyl)sulfonyl]azetidine-3-carboxylate
CID 62706978
N'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide
CID 134542828
methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate
CID 103055325
methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate
CID 87174001
methyl 1-(2-chloro-4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 32674219
methyl 1-tert-butylsulfonylpiperidine-4-carboxylate
CID 62492505
ethyl 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxylate
CID 822460

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate (CID 107596042) is methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)Nc2cnc(Cl)cn2)CC1.
What is the InChIKey of methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate?
The InChIKey is UAOFMWRBNJJETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O4S/c1-20-11(17)8-2-4-16(5-3-8)21(18,19)15-10-7-13-9(12)6-14-10/h6-8H,2-5H2,1H3,(H,14,15).
What are the key properties of methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate?
methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate has a molecular weight of 334.79 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 107596042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).