1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide

C10H20N2O4S — CID 168716441

IUPAC1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESCC(C)C[C@@H](CO)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C10H20N2O4S/c1-7(2)3-8(6-13)12-5-9(4-10(12)14)17(11,15)16/h7-9,13H,3-6H2,1-2H3,(H2,11,15,16)/t8-,9?/m0/s1
InChIKeyIEYSMIGATZXARD-IENPIDJESA-N
MW264.35 g/mol
LogP-0.72
Rot. Bonds5

About 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide

1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716441) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716441
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESCC(C)C[C@@H](CO)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C10H20N2O4S/c1-7(2)3-8(6-13)12-5-9(4-10(12)14)17(11,15)16/h7-9,13H,3-6H2,1-2H3,(H2,11,15,16)/t8-,9?/m0/s1
InChIKeyIEYSMIGATZXARD-IENPIDJESA-N
XLogP-0.72
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide (CID 168716441) is 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide is CC(C)C[C@@H](CO)N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is IEYSMIGATZXARD-IENPIDJESA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-7(2)3-8(6-13)12-5-9(4-10(12)14)17(11,15)16/h7-9,13H,3-6H2,1-2H3,(H2,11,15,16)/t8-,9?/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide?
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 264.35 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).