methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride

C13H25ClN2O4S — CID 120874430

IUPACmethyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1CCCCC1S(=O)(=O)NC1CCNCC1.Cl
InChIInChI=1S/C13H24N2O4S.ClH/c1-19-13(16)11-4-2-3-5-12(11)20(17,18)15-10-6-8-14-9-7-10;/h10-12,14-15H,2-9H2,1H3;1H
InChIKeyNYESZFPBGLOUAF-UHFFFAOYSA-N
MW340.87 g/mol
LogP0.81
Rot. Bonds4

About methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride

methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride (PubChem CID 120874430) has the molecular formula C13H25ClN2O4S and a molecular weight of 340.87 g/mol. Its IUPAC name is methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride
PubChem CID120874430
Molecular FormulaC13H25ClN2O4S
Molecular Weight340.87 g/mol
Exact Mass340.12
IUPAC Namemethyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1CCCCC1S(=O)(=O)NC1CCNCC1.Cl
InChIInChI=1S/C13H24N2O4S.ClH/c1-19-13(16)11-4-2-3-5-12(11)20(17,18)15-10-6-8-14-9-7-10;/h10-12,14-15H,2-9H2,1H3;1H
InChIKeyNYESZFPBGLOUAF-UHFFFAOYSA-N
XLogP0.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate
CID 103342256
methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate
CID 120876444
methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343368
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
N-piperidin-4-ylcyclopentanesulfonamide
CID 115752108
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342807
methyl 2-(2-cyanopropylsulfamoyl)cyclohexane-1-carboxylate
CID 75455830
methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342193
2-[[(2-methoxycarbonylcyclohexyl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660593

Frequently Asked Questions

What is the IUPAC name of methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride (CID 120874430) is methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride is COC(=O)C1CCCCC1S(=O)(=O)NC1CCNCC1.Cl.
What is the InChIKey of methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride?
The InChIKey is NYESZFPBGLOUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S.ClH/c1-19-13(16)11-4-2-3-5-12(11)20(17,18)15-10-6-8-14-9-7-10;/h10-12,14-15H,2-9H2,1H3;1H.
What are the key properties of methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride?
methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride has a molecular weight of 340.87 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 120874430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).