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

C9H18N2O5S — CID 104929205

IUPACpropan-2-yl N-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCC[C@H]1CO
InChIInChI=1S/C9H18N2O5S/c1-7(2)16-9(13)10-17(14,15)11-5-3-4-8(11)6-12/h7-8,12H,3-6H2,1-2H3,(H,10,13)/t8-/m0/s1
InChIKeyFDGNCFHSESNPMO-QMMMGPOBSA-N
MW266.32 g/mol
LogP-0.18
Rot. Bonds4

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

propan-2-yl N-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate (PubChem CID 104929205) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is propan-2-yl N-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
PubChem CID104929205
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Namepropan-2-yl N-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CCC[C@H]1CO
InChIInChI=1S/C9H18N2O5S/c1-7(2)16-9(13)10-17(14,15)11-5-3-4-8(11)6-12/h7-8,12H,3-6H2,1-2H3,(H,10,13)/t8-/m0/s1
InChIKeyFDGNCFHSESNPMO-QMMMGPOBSA-N
XLogP-0.18
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate?
The IUPAC name of propan-2-yl N-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate (CID 104929205) is propan-2-yl N-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate is CC(C)OC(=O)NS(=O)(=O)N1CCC[C@H]1CO.
What is the InChIKey of propan-2-yl N-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate?
The InChIKey is FDGNCFHSESNPMO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-7(2)16-9(13)10-17(14,15)11-5-3-4-8(11)6-12/h7-8,12H,3-6H2,1-2H3,(H,10,13)/t8-/m0/s1.
What are the key properties of propan-2-yl N-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate?
propan-2-yl N-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate has a molecular weight of 266.32 g/mol, XLogP of -0.18, 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-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 104929205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).