2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide

C11H20N2OS — CID 65248712

IUPAC2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide
SMILESCC1CC(=O)N(CCC(C)(C)C(N)=S)C1
InChIInChI=1S/C11H20N2OS/c1-8-6-9(14)13(7-8)5-4-11(2,3)10(12)15/h8H,4-7H2,1-3H3,(H2,12,15)
InChIKeyFPLCCNLVQZRLPE-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.56
Rot. Bonds4

About 2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide

2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide (PubChem CID 65248712) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide
PubChem CID65248712
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide
SMILESCC1CC(=O)N(CCC(C)(C)C(N)=S)C1
InChIInChI=1S/C11H20N2OS/c1-8-6-9(14)13(7-8)5-4-11(2,3)10(12)15/h8H,4-7H2,1-3H3,(H2,12,15)
InChIKeyFPLCCNLVQZRLPE-UHFFFAOYSA-N
XLogP1.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide?
The IUPAC name of 2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide (CID 65248712) is 2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide.
What is the SMILES notation for 2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide?
The canonical SMILES for 2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide is CC1CC(=O)N(CCC(C)(C)C(N)=S)C1.
What is the InChIKey of 2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide?
The InChIKey is FPLCCNLVQZRLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8-6-9(14)13(7-8)5-4-11(2,3)10(12)15/h8H,4-7H2,1-3H3,(H2,12,15).
What are the key properties of 2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide?
2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide has a molecular weight of 228.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-methyl-2-oxopyrrolidin-1-yl)butanethioamide is sourced from PubChem (CID 65248712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).