methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate

C13H24N2O4S — CID 120876444

IUPACmethyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1S(=O)(=O)N[C@@H]1CCCNC1
InChIInChI=1S/C13H24N2O4S/c1-19-13(16)11-6-2-3-7-12(11)20(17,18)15-10-5-4-8-14-9-10/h10-12,14-15H,2-9H2,1H3/t10-,11?,12?/m1/s1
InChIKeyCTJAELPDCIQLIJ-VOMCLLRMSA-N
MW304.41 g/mol
LogP0.39
Rot. Bonds4

About methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate

methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate (PubChem CID 120876444) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate
PubChem CID120876444
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Namemethyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1S(=O)(=O)N[C@@H]1CCCNC1
InChIInChI=1S/C13H24N2O4S/c1-19-13(16)11-6-2-3-7-12(11)20(17,18)15-10-5-4-8-14-9-10/h10-12,14-15H,2-9H2,1H3/t10-,11?,12?/m1/s1
InChIKeyCTJAELPDCIQLIJ-VOMCLLRMSA-N
XLogP0.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(piperidin-4-ylsulfamoyl)cyclohexane-1-carboxylate;hydrochloride
CID 120874430
methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate
CID 103342256
methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343368
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342193
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
2-methoxy-N-[(3R)-piperidin-3-yl]ethanesulfonamide
CID 104645644
2-[[(3S)-piperidin-3-yl]sulfamoyl]propanoic acid
CID 104982569
3-(sulfamoylamino)azepane
CID 114959363
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate (CID 120876444) is methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1S(=O)(=O)N[C@@H]1CCCNC1.
What is the InChIKey of methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate?
The InChIKey is CTJAELPDCIQLIJ-VOMCLLRMSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-19-13(16)11-6-2-3-7-12(11)20(17,18)15-10-5-4-8-14-9-10/h10-12,14-15H,2-9H2,1H3/t10-,11?,12?/m1/s1.
What are the key properties of methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate?
methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate has a molecular weight of 304.41 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 120876444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).