4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one

C11H22N2OS — CID 129257176

IUPAC4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(SCC(C)(C)N)CC1=O
InChIInChI=1S/C11H22N2OS/c1-8(2)13-6-9(5-10(13)14)15-7-11(3,4)12/h8-9H,5-7,12H2,1-4H3
InChIKeyXWSYDXHWRWTWIR-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.47
Rot. Bonds4

About 4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one

4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one (PubChem CID 129257176) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one
PubChem CID129257176
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(SCC(C)(C)N)CC1=O
InChIInChI=1S/C11H22N2OS/c1-8(2)13-6-9(5-10(13)14)15-7-11(3,4)12/h8-9H,5-7,12H2,1-4H3
InChIKeyXWSYDXHWRWTWIR-UHFFFAOYSA-N
XLogP1.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one (CID 129257176) is 4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC(SCC(C)(C)N)CC1=O.
What is the InChIKey of 4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is XWSYDXHWRWTWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-8(2)13-6-9(5-10(13)14)15-7-11(3,4)12/h8-9H,5-7,12H2,1-4H3.
What are the key properties of 4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one?
4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 230.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 129257176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).