4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid

C21H32N2O5S — CID 123679997

IUPAC4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid
SMILESCOC1CCC(CN(Cc2ccccn2)S(=O)(=O)C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C21H32N2O5S/c1-28-19-9-5-16(6-10-19)14-23(15-18-4-2-3-13-22-18)29(26,27)20-11-7-17(8-12-20)21(24)25/h2-4,13,16-17,19-20H,5-12,14-15H2,1H3,(H,24,25)
InChIKeyLWPTUSDJDPUVMG-UHFFFAOYSA-N
MW424.56 g/mol
LogP3.06
Rot. Bonds8

About 4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid

4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid (PubChem CID 123679997) has the molecular formula C21H32N2O5S and a molecular weight of 424.56 g/mol. Its IUPAC name is 4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid
PubChem CID123679997
Molecular FormulaC21H32N2O5S
Molecular Weight424.56 g/mol
Exact Mass424.20
IUPAC Name4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid
SMILESCOC1CCC(CN(Cc2ccccn2)S(=O)(=O)C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C21H32N2O5S/c1-28-19-9-5-16(6-10-19)14-23(15-18-4-2-3-13-22-18)29(26,27)20-11-7-17(8-12-20)21(24)25/h2-4,13,16-17,19-20H,5-12,14-15H2,1H3,(H,24,25)
InChIKeyLWPTUSDJDPUVMG-UHFFFAOYSA-N
XLogP3.06
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149112
2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60865091
1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858938
4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid
CID 69023524
4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 145497572
1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid
CID 174808525
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 115239884
4-methoxy-1-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61201169
2-[[2-methoxyethyl(sulfamoyl)amino]methyl]pyridine
CID 112686105
ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020
4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 116918674

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid (CID 123679997) is 4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid is COC1CCC(CN(Cc2ccccn2)S(=O)(=O)C2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is LWPTUSDJDPUVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5S/c1-28-19-9-5-16(6-10-19)14-23(15-18-4-2-3-13-22-18)29(26,27)20-11-7-17(8-12-20)21(24)25/h2-4,13,16-17,19-20H,5-12,14-15H2,1H3,(H,24,25).
What are the key properties of 4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid?
4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 424.56 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 123679997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).