methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate

C14H28N2O4S — CID 61460468

IUPACmethyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O4S/c1-14(2,3)16-9-7-12(8-10-16)15-21(18,19)11-5-6-13(17)20-4/h12,15H,5-11H2,1-4H3
InChIKeyZTKOYIOTTYUNIY-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.12
Rot. Bonds6

About methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate

methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate (PubChem CID 61460468) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate
PubChem CID61460468
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Namemethyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O4S/c1-14(2,3)16-9-7-12(8-10-16)15-21(18,19)11-5-6-13(17)20-4/h12,15H,5-11H2,1-4H3
InChIKeyZTKOYIOTTYUNIY-UHFFFAOYSA-N
XLogP1.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate
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methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate
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methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate
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methyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate
CID 103697727
methyl 4-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]butanoate
CID 115919099
methyl 4-[(3-methylsulfanylcyclopentyl)sulfamoyl]butanoate
CID 103697953
methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate
CID 113346278
methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate
CID 110819833
methyl 4-(4-acetamidopiperidin-1-yl)sulfonylbutanoate
CID 115634589
methyl 4-(1,2,3,4-tetrahydronaphthalen-2-ylsulfamoyl)butanoate
CID 62305600
methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbutanoate
CID 115307199

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate (CID 61460468) is methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NC1CCN(C(C)(C)C)CC1.
What is the InChIKey of methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate?
The InChIKey is ZTKOYIOTTYUNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-14(2,3)16-9-7-12(8-10-16)15-21(18,19)11-5-6-13(17)20-4/h12,15H,5-11H2,1-4H3.
What are the key properties of methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate?
methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate has a molecular weight of 320.46 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate is sourced from PubChem (CID 61460468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).