2-(propan-2-ylsulfonimidoyl)ethanol

C5H13NO2S — CID 167337272

IUPAC2-(propan-2-ylsulfonimidoyl)ethanol
SMILES[H]N=S(=O)(CCO)C(C)C
InChIInChI=1S/C5H13NO2S/c1-5(2)9(6,8)4-3-7/h5-7H,3-4H2,1-2H3
InChIKeyMPUSZOSREOSLDA-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.43
Rot. Bonds3

About 2-(propan-2-ylsulfonimidoyl)ethanol

2-(propan-2-ylsulfonimidoyl)ethanol (PubChem CID 167337272) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-(propan-2-ylsulfonimidoyl)ethanol.

Molecular Properties

Compound Name2-(propan-2-ylsulfonimidoyl)ethanol
PubChem CID167337272
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name2-(propan-2-ylsulfonimidoyl)ethanol
SMILES[H]N=S(=O)(CCO)C(C)C
InChIInChI=1S/C5H13NO2S/c1-5(2)9(6,8)4-3-7/h5-7H,3-4H2,1-2H3
InChIKeyMPUSZOSREOSLDA-UHFFFAOYSA-N
XLogP0.43
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfonimidoyl)ethanol?
The IUPAC name of 2-(propan-2-ylsulfonimidoyl)ethanol (CID 167337272) is 2-(propan-2-ylsulfonimidoyl)ethanol.
What is the SMILES notation for 2-(propan-2-ylsulfonimidoyl)ethanol?
The canonical SMILES for 2-(propan-2-ylsulfonimidoyl)ethanol is [H]N=S(=O)(CCO)C(C)C.
What is the InChIKey of 2-(propan-2-ylsulfonimidoyl)ethanol?
The InChIKey is MPUSZOSREOSLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-5(2)9(6,8)4-3-7/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-(propan-2-ylsulfonimidoyl)ethanol?
2-(propan-2-ylsulfonimidoyl)ethanol has a molecular weight of 151.23 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfonimidoyl)ethanol is sourced from PubChem (CID 167337272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).