2-hydroxyethyl(propan-2-yl)sulfamic acid

C5H13NO4S — CID 141025043

IUPAC2-hydroxyethyl(propan-2-yl)sulfamic acid
SMILESCC(C)N(CCO)S(=O)(=O)O
InChIInChI=1S/C5H13NO4S/c1-5(2)6(3-4-7)11(8,9)10/h5,7H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyOMRCGYXCSLKMAZ-UHFFFAOYSA-N
MW183.23 g/mol
LogP-0.51
Rot. Bonds4

About 2-hydroxyethyl(propan-2-yl)sulfamic acid

2-hydroxyethyl(propan-2-yl)sulfamic acid (PubChem CID 141025043) has the molecular formula C5H13NO4S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-hydroxyethyl(propan-2-yl)sulfamic acid.

Molecular Properties

Compound Name2-hydroxyethyl(propan-2-yl)sulfamic acid
PubChem CID141025043
Molecular FormulaC5H13NO4S
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC Name2-hydroxyethyl(propan-2-yl)sulfamic acid
SMILESCC(C)N(CCO)S(=O)(=O)O
InChIInChI=1S/C5H13NO4S/c1-5(2)6(3-4-7)11(8,9)10/h5,7H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyOMRCGYXCSLKMAZ-UHFFFAOYSA-N
XLogP-0.51
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(propan-2-yl)sulfamic acid?
The IUPAC name of 2-hydroxyethyl(propan-2-yl)sulfamic acid (CID 141025043) is 2-hydroxyethyl(propan-2-yl)sulfamic acid.
What is the SMILES notation for 2-hydroxyethyl(propan-2-yl)sulfamic acid?
The canonical SMILES for 2-hydroxyethyl(propan-2-yl)sulfamic acid is CC(C)N(CCO)S(=O)(=O)O.
What is the InChIKey of 2-hydroxyethyl(propan-2-yl)sulfamic acid?
The InChIKey is OMRCGYXCSLKMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S/c1-5(2)6(3-4-7)11(8,9)10/h5,7H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of 2-hydroxyethyl(propan-2-yl)sulfamic acid?
2-hydroxyethyl(propan-2-yl)sulfamic acid has a molecular weight of 183.23 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(propan-2-yl)sulfamic acid is sourced from PubChem (CID 141025043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).