(2S)-2-[4-(methylsulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide

C10H18N2O4S — CID 57478757

IUPAC(2S)-2-[4-(methylsulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCC[C@@H](C(N)=O)N1CC(CS(C)(=O)=O)CC1=O
InChIInChI=1S/C10H18N2O4S/c1-3-8(10(11)14)12-5-7(4-9(12)13)6-17(2,15)16/h7-8H,3-6H2,1-2H3,(H2,11,14)/t7?,8-/m0/s1
InChIKeyVTKFYRKFUPILMD-MQWKRIRWSA-N
MW262.33 g/mol
LogP-0.86
Rot. Bonds5

About (2S)-2-[4-(methylsulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide

(2S)-2-[4-(methylsulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 57478757) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is (2S)-2-[4-(methylsulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[4-(methylsulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide
PubChem CID57478757
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name(2S)-2-[4-(methylsulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCC[C@@H](C(N)=O)N1CC(CS(C)(=O)=O)CC1=O
InChIInChI=1S/C10H18N2O4S/c1-3-8(10(11)14)12-5-7(4-9(12)13)6-17(2,15)16/h7-8H,3-6H2,1-2H3,(H2,11,14)/t7?,8-/m0/s1
InChIKeyVTKFYRKFUPILMD-MQWKRIRWSA-N
XLogP-0.86
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(methylsulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of (2S)-2-[4-(methylsulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide (CID 57478757) is (2S)-2-[4-(methylsulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2S)-2-[4-(methylsulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for (2S)-2-[4-(methylsulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide is CC[C@@H](C(N)=O)N1CC(CS(C)(=O)=O)CC1=O.
What is the InChIKey of (2S)-2-[4-(methylsulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is VTKFYRKFUPILMD-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-3-8(10(11)14)12-5-7(4-9(12)13)6-17(2,15)16/h7-8H,3-6H2,1-2H3,(H2,11,14)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-[4-(methylsulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide?
(2S)-2-[4-(methylsulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 262.33 g/mol, XLogP of -0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(methylsulfonylmethyl)-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 57478757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).