bis(2-hydroxyethyl)sulfamic acid;propan-2-ol

C7H19NO6S — CID 87524195

IUPACbis(2-hydroxyethyl)sulfamic acid;propan-2-ol
SMILESCC(C)O.O=S(=O)(O)N(CCO)CCO
InChIInChI=1S/C4H11NO5S.C3H8O/c6-3-1-5(2-4-7)11(8,9)10;1-3(2)4/h6-7H,1-4H2,(H,8,9,10);3-4H,1-2H3
InChIKeySOYPFPSCIQQRCR-UHFFFAOYSA-N
MW245.30 g/mol
LogP-1.54
Rot. Bonds5

About bis(2-hydroxyethyl)sulfamic acid;propan-2-ol

bis(2-hydroxyethyl)sulfamic acid;propan-2-ol (PubChem CID 87524195) has the molecular formula C7H19NO6S and a molecular weight of 245.30 g/mol. Its IUPAC name is bis(2-hydroxyethyl)sulfamic acid;propan-2-ol.

Molecular Properties

Compound Namebis(2-hydroxyethyl)sulfamic acid;propan-2-ol
PubChem CID87524195
Molecular FormulaC7H19NO6S
Molecular Weight245.30 g/mol
Exact Mass245.09
IUPAC Namebis(2-hydroxyethyl)sulfamic acid;propan-2-ol
SMILESCC(C)O.O=S(=O)(O)N(CCO)CCO
InChIInChI=1S/C4H11NO5S.C3H8O/c6-3-1-5(2-4-7)11(8,9)10;1-3(2)4/h6-7H,1-4H2,(H,8,9,10);3-4H,1-2H3
InChIKeySOYPFPSCIQQRCR-UHFFFAOYSA-N
XLogP-1.54
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 bis(2-hydroxyethyl)sulfamic acid;propan-2-ol?
The IUPAC name of bis(2-hydroxyethyl)sulfamic acid;propan-2-ol (CID 87524195) is bis(2-hydroxyethyl)sulfamic acid;propan-2-ol.
What is the SMILES notation for bis(2-hydroxyethyl)sulfamic acid;propan-2-ol?
The canonical SMILES for bis(2-hydroxyethyl)sulfamic acid;propan-2-ol is CC(C)O.O=S(=O)(O)N(CCO)CCO.
What is the InChIKey of bis(2-hydroxyethyl)sulfamic acid;propan-2-ol?
The InChIKey is SOYPFPSCIQQRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO5S.C3H8O/c6-3-1-5(2-4-7)11(8,9)10;1-3(2)4/h6-7H,1-4H2,(H,8,9,10);3-4H,1-2H3.
What are the key properties of bis(2-hydroxyethyl)sulfamic acid;propan-2-ol?
bis(2-hydroxyethyl)sulfamic acid;propan-2-ol has a molecular weight of 245.30 g/mol, XLogP of -1.54, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)sulfamic acid;propan-2-ol is sourced from PubChem (CID 87524195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).