propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate

C8H16N2O5S — CID 114464288

IUPACpropan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CC(CO)C1
InChIInChI=1S/C8H16N2O5S/c1-6(2)15-8(12)9-16(13,14)10-3-7(4-10)5-11/h6-7,11H,3-5H2,1-2H3,(H,9,12)
InChIKeyVPPCNLBKPYHHHA-UHFFFAOYSA-N
MW252.29 g/mol
LogP-0.71
Rot. Bonds4

About propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate

propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate (PubChem CID 114464288) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate
PubChem CID114464288
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Namepropan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CC(CO)C1
InChIInChI=1S/C8H16N2O5S/c1-6(2)15-8(12)9-16(13,14)10-3-7(4-10)5-11/h6-7,11H,3-5H2,1-2H3,(H,9,12)
InChIKeyVPPCNLBKPYHHHA-UHFFFAOYSA-N
XLogP-0.71
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate
CID 114464921
propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate
CID 114779182
propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate
CID 114467189
propan-2-yl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114464141
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
CID 102786595
propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate
CID 114464874
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 114462039
N-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide
CID 114809658
propan-2-yl N-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]sulfonylcarbamate
CID 114464217
(2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929145

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate?
The IUPAC name of propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate (CID 114464288) is propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate is CC(C)OC(=O)NS(=O)(=O)N1CC(CO)C1.
What is the InChIKey of propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate?
The InChIKey is VPPCNLBKPYHHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-6(2)15-8(12)9-16(13,14)10-3-7(4-10)5-11/h6-7,11H,3-5H2,1-2H3,(H,9,12).
What are the key properties of propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate?
propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate has a molecular weight of 252.29 g/mol, XLogP of -0.71, 4 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-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 114464288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).