methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate

C12H22N2O6S — CID 114465457

IUPACmethyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C12H22N2O6S/c1-9(2)20-12(16)13-21(17,18)14-7-5-4-6-10(14)8-11(15)19-3/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyVRFJXHOSZVVNSA-UHFFFAOYSA-N
MW322.38 g/mol
LogP0.78
Rot. Bonds5

About methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate

methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate (PubChem CID 114465457) has the molecular formula C12H22N2O6S and a molecular weight of 322.38 g/mol. Its IUPAC name is methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate
PubChem CID114465457
Molecular FormulaC12H22N2O6S
Molecular Weight322.38 g/mol
Exact Mass322.12
IUPAC Namemethyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C12H22N2O6S/c1-9(2)20-12(16)13-21(17,18)14-7-5-4-6-10(14)8-11(15)19-3/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyVRFJXHOSZVVNSA-UHFFFAOYSA-N
XLogP0.78
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl N-[2-(2-oxopropyl)azepan-1-yl]sulfonylcarbamate
CID 114463754
propan-2-yl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114464141
propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 112747937
methyl N-[2-(2-hydroxypropyl)azepan-1-yl]sulfonylcarbamate
CID 114464433
methyl 2-[1-(chloromethylsulfonyl)piperidin-2-yl]acetate
CID 63665399
(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929099
methyl 2-[1-(diethylsulfamoyl)piperidin-2-yl]acetate
CID 54899577
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate
CID 114464428
methyl N-[2-(bromomethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114466523
propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
CID 102786595
methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114465274

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate (CID 114465457) is methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1S(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate?
The InChIKey is VRFJXHOSZVVNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O6S/c1-9(2)20-12(16)13-21(17,18)14-7-5-4-6-10(14)8-11(15)19-3/h9-10H,4-8H2,1-3H3,(H,13,16).
What are the key properties of methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate?
methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate has a molecular weight of 322.38 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate is sourced from PubChem (CID 114465457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).