propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate

C7H15N3O4S — CID 114464921

IUPACpropan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CC(N)C1
InChIInChI=1S/C7H15N3O4S/c1-5(2)14-7(11)9-15(12,13)10-3-6(8)4-10/h5-6H,3-4,8H2,1-2H3,(H,9,11)
InChIKeyMPUVQRNBMHMNIL-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.99
Rot. Bonds3

About propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate

propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate (PubChem CID 114464921) has the molecular formula C7H15N3O4S and a molecular weight of 237.28 g/mol. Its IUPAC name is propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate
PubChem CID114464921
Molecular FormulaC7H15N3O4S
Molecular Weight237.28 g/mol
Exact Mass237.08
IUPAC Namepropan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CC(N)C1
InChIInChI=1S/C7H15N3O4S/c1-5(2)14-7(11)9-15(12,13)10-3-6(8)4-10/h5-6H,3-4,8H2,1-2H3,(H,9,11)
InChIKeyMPUVQRNBMHMNIL-UHFFFAOYSA-N
XLogP-0.99
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate
CID 114464288
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate
CID 114464874
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate
CID 114467189
3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107324102
(2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929145
propan-2-yl N-[4-(4-aminobutyl)piperazin-1-yl]sulfonylcarbamate
CID 114461189
propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate
CID 114779182
4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 114462039
propan-2-yl N-[2-(aminomethyl)-6-methylpiperidin-1-yl]sulfonylcarbamate
CID 114464856
(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929099

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate?
The IUPAC name of propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate (CID 114464921) is propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate is CC(C)OC(=O)NS(=O)(=O)N1CC(N)C1.
What is the InChIKey of propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate?
The InChIKey is MPUVQRNBMHMNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O4S/c1-5(2)14-7(11)9-15(12,13)10-3-6(8)4-10/h5-6H,3-4,8H2,1-2H3,(H,9,11).
What are the key properties of propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate?
propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate has a molecular weight of 237.28 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate is sourced from PubChem (CID 114464921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).