2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide

C11H17NO2S — CID 167474223

IUPAC2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide
SMILESCC(C)c1ccc(NS(=O)CCO)cc1
InChIInChI=1S/C11H17NO2S/c1-9(2)10-3-5-11(6-4-10)12-15(14)8-7-13/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyBJZRLZWRPGZZAQ-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.88
Rot. Bonds5

About 2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide

2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide (PubChem CID 167474223) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide
PubChem CID167474223
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide
SMILESCC(C)c1ccc(NS(=O)CCO)cc1
InChIInChI=1S/C11H17NO2S/c1-9(2)10-3-5-11(6-4-10)12-15(14)8-7-13/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyBJZRLZWRPGZZAQ-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide?
The IUPAC name of 2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide (CID 167474223) is 2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide.
What is the SMILES notation for 2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide?
The canonical SMILES for 2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide is CC(C)c1ccc(NS(=O)CCO)cc1.
What is the InChIKey of 2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide?
The InChIKey is BJZRLZWRPGZZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9(2)10-3-5-11(6-4-10)12-15(14)8-7-13/h3-6,9,12-13H,7-8H2,1-2H3.
What are the key properties of 2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide?
2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide has a molecular weight of 227.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-propan-2-ylphenyl)ethanesulfinamide is sourced from PubChem (CID 167474223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).