propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate

C11H23N3O4S — CID 114464874

IUPACpropan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCC(CCN)CC1
InChIInChI=1S/C11H23N3O4S/c1-9(2)18-11(15)13-19(16,17)14-7-4-10(3-6-12)5-8-14/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyGGPNEFDEAHPXCO-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.43
Rot. Bonds5

About propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate

propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate (PubChem CID 114464874) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate
PubChem CID114464874
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Namepropan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCC(CCN)CC1
InChIInChI=1S/C11H23N3O4S/c1-9(2)18-11(15)13-19(16,17)14-7-4-10(3-6-12)5-8-14/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyGGPNEFDEAHPXCO-UHFFFAOYSA-N
XLogP0.43
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 112747937
propan-2-yl N-[4-(4-aminobutyl)piperazin-1-yl]sulfonylcarbamate
CID 114461189
propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate
CID 114464921
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate
CID 114464288
propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate
CID 114464217
propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate
CID 114464856
propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate
CID 114467189
1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea
CID 134126316
propan-2-yl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114464141
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
CID 102786595

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate?
The IUPAC name of propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate (CID 114464874) is propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate is CC(C)OC(=O)NS(=O)(=O)N1CCC(CCN)CC1.
What is the InChIKey of propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate?
The InChIKey is GGPNEFDEAHPXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-9(2)18-11(15)13-19(16,17)14-7-4-10(3-6-12)5-8-14/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate?
propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate has a molecular weight of 293.39 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 114464874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).