1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one

C12H23NO2S — CID 122607173

IUPAC1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one
SMILESCC(C)(C)SC1CC(=O)N(C(C)(C)C)C1O
InChIInChI=1S/C12H23NO2S/c1-11(2,3)13-9(14)7-8(10(13)15)16-12(4,5)6/h8,10,15H,7H2,1-6H3
InChIKeyUIGNMIQPDYIWPM-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.24
Rot. Bonds1

About 1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one

1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one (PubChem CID 122607173) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one
PubChem CID122607173
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one
SMILESCC(C)(C)SC1CC(=O)N(C(C)(C)C)C1O
InChIInChI=1S/C12H23NO2S/c1-11(2,3)13-9(14)7-8(10(13)15)16-12(4,5)6/h8,10,15H,7H2,1-6H3
InChIKeyUIGNMIQPDYIWPM-UHFFFAOYSA-N
XLogP2.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 58571161
CID 58571161
CID 59555087
CID 59555087
CID 59555254
CID 59555254
CID 60022161
CID 60022161
CID 89131578
CID 89131578
CID 89159277
CID 89159277
CID 90951216
CID 90951216
CID 91007381
CID 91007381
CID 91327801
CID 91327801
CID 118284553
CID 118284553
CID 118287894
CID 118287894
CID 122609161
CID 122609161

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one (CID 122607173) is 1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one is CC(C)(C)SC1CC(=O)N(C(C)(C)C)C1O.
What is the InChIKey of 1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one?
The InChIKey is UIGNMIQPDYIWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-11(2,3)13-9(14)7-8(10(13)15)16-12(4,5)6/h8,10,15H,7H2,1-6H3.
What are the key properties of 1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one?
1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one has a molecular weight of 245.39 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-tert-butylsulfanyl-5-hydroxypyrrolidin-2-one is sourced from PubChem (CID 122607173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).