methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate

C12H19N3O4S — CID 104710389

IUPACmethyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NS(=O)(=O)c2ccnn2C)CC1
InChIInChI=1S/C12H19N3O4S/c1-15-11(7-8-13-15)20(17,18)14-10-5-3-9(4-6-10)12(16)19-2/h7-10,14H,3-6H2,1-2H3
InChIKeyZIMCRTLVBCYKTL-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.43
Rot. Bonds4

About methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate

methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate (PubChem CID 104710389) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate
PubChem CID104710389
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Namemethyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NS(=O)(=O)c2ccnn2C)CC1
InChIInChI=1S/C12H19N3O4S/c1-15-11(7-8-13-15)20(17,18)14-10-5-3-9(4-6-10)12(16)19-2/h7-10,14H,3-6H2,1-2H3
InChIKeyZIMCRTLVBCYKTL-UHFFFAOYSA-N
XLogP0.43
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-methylpyrazole-3-sulfonamide
CID 104709770
N-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120708226
methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate
CID 113444014
N-[4-(bromomethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide
CID 112753047
2-methyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide
CID 104709475
methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate
CID 115617333
N-[1-(cyanomethyl)piperidin-4-yl]-2-methylpyrazole-3-sulfonamide
CID 104709882
methyl 4-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115617309
methyl 4-[(2-chloro-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115641381
2-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 104709662
methyl 4-[[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58291840
methyl 4-[[4-(1,3-oxazol-2-yl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58292157

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate (CID 104710389) is methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NS(=O)(=O)c2ccnn2C)CC1.
What is the InChIKey of methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate?
The InChIKey is ZIMCRTLVBCYKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-15-11(7-8-13-15)20(17,18)14-10-5-3-9(4-6-10)12(16)19-2/h7-10,14H,3-6H2,1-2H3.
What are the key properties of methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate?
methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate has a molecular weight of 301.37 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 104710389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).