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

C10H20N2O5S — CID 102786595

IUPACpropan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C10H20N2O5S/c1-7(2)17-10(14)11-18(15,16)12-5-4-8(3)9(12)6-13/h7-9,13H,4-6H2,1-3H3,(H,11,14)
InChIKeyJFCQTLSTHKBYLB-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.07
Rot. Bonds4

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

propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate (PubChem CID 102786595) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
PubChem CID102786595
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Namepropan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C10H20N2O5S/c1-7(2)17-10(14)11-18(15,16)12-5-4-8(3)9(12)6-13/h7-9,13H,4-6H2,1-3H3,(H,11,14)
InChIKeyJFCQTLSTHKBYLB-UHFFFAOYSA-N
XLogP0.07
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.07
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
propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate
CID 114464288
(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929099
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylpropanoic acid
CID 102778344
propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 112747937
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-(azepan-1-ylsulfonyl)carbamate
CID 114463100
(2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929145
propan-2-yl N-[4-(2-aminoethyl)piperidin-1-yl]sulfonylcarbamate
CID 114464874
[1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol
CID 164648332
propan-2-yl N-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114463743

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate?
The IUPAC name of propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate (CID 102786595) is propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate is CC(C)OC(=O)NS(=O)(=O)N1CCC(C)C1CO.
What is the InChIKey of propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate?
The InChIKey is JFCQTLSTHKBYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-7(2)17-10(14)11-18(15,16)12-5-4-8(3)9(12)6-13/h7-9,13H,4-6H2,1-3H3,(H,11,14).
What are the key properties of propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate?
propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate has a molecular weight of 280.35 g/mol, XLogP of 0.07, 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-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 102786595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).