2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide

C8H16N2O4S — CID 106339806

IUPAC2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCN1CC(CO)CC1=O
InChIInChI=1S/C8H16N2O4S/c1-9-15(13,14)3-2-10-5-7(6-11)4-8(10)12/h7,9,11H,2-6H2,1H3
InChIKeyFCCXMXHRNMTHSZ-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.62
Rot. Bonds5

About 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide

2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide (PubChem CID 106339806) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide
PubChem CID106339806
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCN1CC(CO)CC1=O
InChIInChI=1S/C8H16N2O4S/c1-9-15(13,14)3-2-10-5-7(6-11)4-8(10)12/h7,9,11H,2-6H2,1H3
InChIKeyFCCXMXHRNMTHSZ-UHFFFAOYSA-N
XLogP-1.62
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide?
The IUPAC name of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide (CID 106339806) is 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide is CNS(=O)(=O)CCN1CC(CO)CC1=O.
What is the InChIKey of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide?
The InChIKey is FCCXMXHRNMTHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-9-15(13,14)3-2-10-5-7(6-11)4-8(10)12/h7,9,11H,2-6H2,1H3.
What are the key properties of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide?
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide has a molecular weight of 236.29 g/mol, XLogP of -1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylethanesulfonamide is sourced from PubChem (CID 106339806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).