ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate

C11H22N2O5S — CID 114464428

IUPACethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)N1CCCCC1CC(C)O
InChIInChI=1S/C11H22N2O5S/c1-3-18-11(15)12-19(16,17)13-7-5-4-6-10(13)8-9(2)14/h9-10,14H,3-8H2,1-2H3,(H,12,15)
InChIKeyDAAJZILJELXVTQ-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.60
Rot. Bonds5

About ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate

ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate (PubChem CID 114464428) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate
PubChem CID114464428
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Nameethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)N1CCCCC1CC(C)O
InChIInChI=1S/C11H22N2O5S/c1-3-18-11(15)12-19(16,17)13-7-5-4-6-10(13)8-9(2)14/h9-10,14H,3-8H2,1-2H3,(H,12,15)
InChIKeyDAAJZILJELXVTQ-UHFFFAOYSA-N
XLogP0.60
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-(2-hydroxypropyl)azepan-1-yl]sulfonylcarbamate
CID 114464433
ethyl N-[2-(chloromethyl)piperidin-1-yl]sulfonylcarbamate
CID 114466212
2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide
CID 114809952
1-(1-methylsulfonylazepan-2-yl)propan-2-ol
CID 79559855
ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate
CID 114338113
methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate
CID 114465457
propan-2-yl N-[2-(2-oxopropyl)azepan-1-yl]sulfonylcarbamate
CID 114463754
1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol
CID 79560533
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 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate
CID 79547052
ethyl N-[3-(bromomethyl)morpholin-4-yl]sulfonylcarbamate
CID 114466959

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate?
The IUPAC name of ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate (CID 114464428) is ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate?
The canonical SMILES for ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate is CCOC(=O)NS(=O)(=O)N1CCCCC1CC(C)O.
What is the InChIKey of ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate?
The InChIKey is DAAJZILJELXVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-3-18-11(15)12-19(16,17)13-7-5-4-6-10(13)8-9(2)14/h9-10,14H,3-8H2,1-2H3,(H,12,15).
What are the key properties of ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate?
ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate has a molecular weight of 294.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 114464428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).