1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-3-sulfonamide

C10H20N2O4S — CID 168716427

IUPAC1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESCC(C)(C)[C@@H](CO)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C10H20N2O4S/c1-10(2,3)8(6-13)12-5-7(4-9(12)14)17(11,15)16/h7-8,13H,4-6H2,1-3H3,(H2,11,15,16)/t7?,8-/m1/s1
InChIKeyPAGJIYRDCZLVQV-BRFYHDHCSA-N
MW264.35 g/mol
LogP-0.72
Rot. Bonds3

About 1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-3-sulfonamide

1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716427) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716427
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESCC(C)(C)[C@@H](CO)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C10H20N2O4S/c1-10(2,3)8(6-13)12-5-7(4-9(12)14)17(11,15)16/h7-8,13H,4-6H2,1-3H3,(H2,11,15,16)/t7?,8-/m1/s1
InChIKeyPAGJIYRDCZLVQV-BRFYHDHCSA-N
XLogP-0.72
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-3-sulfonamide (CID 168716427) is 1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[(2S)-1-hydroxy-3,3-dimethylbutan-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-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is PAGJIYRDCZLVQV-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-10(2,3)8(6-13)12-5-7(4-9(12)14)17(11,15)16/h7-8,13H,4-6H2,1-3H3,(H2,11,15,16)/t7?,8-/m1/s1.
What are the key properties of 1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-3-sulfonamide?
1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 264.35 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).