[1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C11H22N2O4S — CID 168680196

IUPAC[1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)C[C@@H](CO)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C11H22N2O4S/c1-8(2)3-10(6-14)13-5-9(4-11(13)15)7-18(12,16)17/h8-10,14H,3-7H2,1-2H3,(H2,12,16,17)/t9?,10-/m0/s1
InChIKeyVAJBVYPBHMPPGL-AXDSSHIGSA-N
MW278.37 g/mol
LogP-0.47
Rot. Bonds6

About [1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680196) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is [1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680196
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name[1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)C[C@@H](CO)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C11H22N2O4S/c1-8(2)3-10(6-14)13-5-9(4-11(13)15)7-18(12,16)17/h8-10,14H,3-7H2,1-2H3,(H2,12,16,17)/t9?,10-/m0/s1
InChIKeyVAJBVYPBHMPPGL-AXDSSHIGSA-N
XLogP-0.47
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.47
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-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680196) is [1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide is CC(C)C[C@@H](CO)N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is VAJBVYPBHMPPGL-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-8(2)3-10(6-14)13-5-9(4-11(13)15)7-18(12,16)17/h8-10,14H,3-7H2,1-2H3,(H2,12,16,17)/t9?,10-/m0/s1.
What are the key properties of [1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 278.37 g/mol, XLogP of -0.47, 6 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-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).