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

C10H21N3O4S — CID 112747937

IUPACpropan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCCC1CCN
InChIInChI=1S/C10H21N3O4S/c1-8(2)17-10(14)12-18(15,16)13-7-3-4-9(13)5-6-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyQQOPLDZXRRHSIG-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.18
Rot. Bonds5

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

propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate (PubChem CID 112747937) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate
PubChem CID112747937
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Namepropan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCCC1CCN
InChIInChI=1S/C10H21N3O4S/c1-8(2)17-10(14)12-18(15,16)13-7-3-4-9(13)5-6-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyQQOPLDZXRRHSIG-UHFFFAOYSA-N
XLogP0.18
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114464141
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
propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate
CID 114464874
(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929099
propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate
CID 114464856
propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114463743
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
ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate
CID 114464428
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate?
The IUPAC name of propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate (CID 112747937) is propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate is CC(C)OC(=O)NS(=O)(=O)N1CCCC1CCN.
What is the InChIKey of propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate?
The InChIKey is QQOPLDZXRRHSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-8(2)17-10(14)12-18(15,16)13-7-3-4-9(13)5-6-11/h8-9H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate?
propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate has a molecular weight of 279.36 g/mol, XLogP of 0.18, 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-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 112747937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).