5-hydroxy-1-[2-(propan-2-ylamino)ethyl]-4-propan-2-ylsulfanylpyrrolidin-2-one

C12H24N2O2S — CID 129177435

IUPAC5-hydroxy-1-[2-(propan-2-ylamino)ethyl]-4-propan-2-ylsulfanylpyrrolidin-2-one
SMILESCC(C)NCCN1C(=O)CC(SC(C)C)C1O
InChIInChI=1S/C12H24N2O2S/c1-8(2)13-5-6-14-11(15)7-10(12(14)16)17-9(3)4/h8-10,12-13,16H,5-7H2,1-4H3
InChIKeyCOUXBMGDXSJPBH-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.05
Rot. Bonds6

About 5-hydroxy-1-[2-(propan-2-ylamino)ethyl]-4-propan-2-ylsulfanylpyrrolidin-2-one

5-hydroxy-1-[2-(propan-2-ylamino)ethyl]-4-propan-2-ylsulfanylpyrrolidin-2-one (PubChem CID 129177435) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 5-hydroxy-1-[2-(propan-2-ylamino)ethyl]-4-propan-2-ylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-[2-(propan-2-ylamino)ethyl]-4-propan-2-ylsulfanylpyrrolidin-2-one
PubChem CID129177435
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name5-hydroxy-1-[2-(propan-2-ylamino)ethyl]-4-propan-2-ylsulfanylpyrrolidin-2-one
SMILESCC(C)NCCN1C(=O)CC(SC(C)C)C1O
InChIInChI=1S/C12H24N2O2S/c1-8(2)13-5-6-14-11(15)7-10(12(14)16)17-9(3)4/h8-10,12-13,16H,5-7H2,1-4H3
InChIKeyCOUXBMGDXSJPBH-UHFFFAOYSA-N
XLogP1.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[2-(propan-2-ylamino)ethyl]-4-propan-2-ylsulfanylpyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-[2-(propan-2-ylamino)ethyl]-4-propan-2-ylsulfanylpyrrolidin-2-one (CID 129177435) is 5-hydroxy-1-[2-(propan-2-ylamino)ethyl]-4-propan-2-ylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-[2-(propan-2-ylamino)ethyl]-4-propan-2-ylsulfanylpyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-[2-(propan-2-ylamino)ethyl]-4-propan-2-ylsulfanylpyrrolidin-2-one is CC(C)NCCN1C(=O)CC(SC(C)C)C1O.
What is the InChIKey of 5-hydroxy-1-[2-(propan-2-ylamino)ethyl]-4-propan-2-ylsulfanylpyrrolidin-2-one?
The InChIKey is COUXBMGDXSJPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-8(2)13-5-6-14-11(15)7-10(12(14)16)17-9(3)4/h8-10,12-13,16H,5-7H2,1-4H3.
What are the key properties of 5-hydroxy-1-[2-(propan-2-ylamino)ethyl]-4-propan-2-ylsulfanylpyrrolidin-2-one?
5-hydroxy-1-[2-(propan-2-ylamino)ethyl]-4-propan-2-ylsulfanylpyrrolidin-2-one has a molecular weight of 260.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[2-(propan-2-ylamino)ethyl]-4-propan-2-ylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 129177435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).