(2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide

C11H20N2O2S — CID 68863270

IUPAC(2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@@H](C(=O)NCCSC)N1CCCC1=O
InChIInChI=1S/C11H20N2O2S/c1-3-9(11(15)12-6-8-16-2)13-7-4-5-10(13)14/h9H,3-8H2,1-2H3,(H,12,15)/t9-/m0/s1
InChIKeyXAFYUBLZZNYDPN-VIFPVBQESA-N
MW244.36 g/mol
LogP0.87
Rot. Bonds6

About (2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide

(2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 68863270) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID68863270
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name(2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@@H](C(=O)NCCSC)N1CCCC1=O
InChIInChI=1S/C11H20N2O2S/c1-3-9(11(15)12-6-8-16-2)13-7-4-5-10(13)14/h9H,3-8H2,1-2H3,(H,12,15)/t9-/m0/s1
InChIKeyXAFYUBLZZNYDPN-VIFPVBQESA-N
XLogP0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide (CID 68863270) is (2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide is CC[C@@H](C(=O)NCCSC)N1CCCC1=O.
What is the InChIKey of (2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is XAFYUBLZZNYDPN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-9(11(15)12-6-8-16-2)13-7-4-5-10(13)14/h9H,3-8H2,1-2H3,(H,12,15)/t9-/m0/s1.
What are the key properties of (2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
(2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 244.36 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methylsulfanylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 68863270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).