N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide

C13H24N2O2S — CID 25297284

IUPACN-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N[C@@H]1CC(=O)N(CC(C)(C)C)C1
InChIInChI=1S/C13H24N2O2S/c1-13(2,3)9-15-8-10(7-12(15)17)14-11(16)5-6-18-4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyPQNHCQUWOBKKBC-SNVBAGLBSA-N
MW272.41 g/mol
LogP1.50
Rot. Bonds5

About N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide

N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide (PubChem CID 25297284) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide
PubChem CID25297284
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N[C@@H]1CC(=O)N(CC(C)(C)C)C1
InChIInChI=1S/C13H24N2O2S/c1-13(2,3)9-15-8-10(7-12(15)17)14-11(16)5-6-18-4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyPQNHCQUWOBKKBC-SNVBAGLBSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide (CID 25297284) is N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide is CSCCC(=O)N[C@@H]1CC(=O)N(CC(C)(C)C)C1.
What is the InChIKey of N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide?
The InChIKey is PQNHCQUWOBKKBC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-13(2,3)9-15-8-10(7-12(15)17)14-11(16)5-6-18-4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide?
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide has a molecular weight of 272.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 25297284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).