(2-hydroxy-3-morpholin-4-ylpropyl)-methylsulfamic acid

C8H18N2O5S — CID 3123588

IUPAC(2-hydroxy-3-morpholin-4-ylpropyl)-methylsulfamic acid
SMILESCN(CC(O)CN1CCOCC1)S(=O)(=O)O
InChIInChI=1S/C8H18N2O5S/c1-9(16(12,13)14)6-8(11)7-10-2-4-15-5-3-10/h8,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyRYYCEBOKDVATQN-UHFFFAOYSA-N
MW254.31 g/mol
LogP-1.59
Rot. Bonds5

About (2-hydroxy-3-morpholin-4-ylpropyl)-methylsulfamic acid

(2-hydroxy-3-morpholin-4-ylpropyl)-methylsulfamic acid (PubChem CID 3123588) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is (2-hydroxy-3-morpholin-4-ylpropyl)-methylsulfamic acid.

Molecular Properties

Compound Name(2-hydroxy-3-morpholin-4-ylpropyl)-methylsulfamic acid
PubChem CID3123588
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Name(2-hydroxy-3-morpholin-4-ylpropyl)-methylsulfamic acid
SMILESCN(CC(O)CN1CCOCC1)S(=O)(=O)O
InChIInChI=1S/C8H18N2O5S/c1-9(16(12,13)14)6-8(11)7-10-2-4-15-5-3-10/h8,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyRYYCEBOKDVATQN-UHFFFAOYSA-N
XLogP-1.59
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
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 (2-hydroxy-3-morpholin-4-ylpropyl)-methylsulfamic acid?
The IUPAC name of (2-hydroxy-3-morpholin-4-ylpropyl)-methylsulfamic acid (CID 3123588) is (2-hydroxy-3-morpholin-4-ylpropyl)-methylsulfamic acid.
What is the SMILES notation for (2-hydroxy-3-morpholin-4-ylpropyl)-methylsulfamic acid?
The canonical SMILES for (2-hydroxy-3-morpholin-4-ylpropyl)-methylsulfamic acid is CN(CC(O)CN1CCOCC1)S(=O)(=O)O.
What is the InChIKey of (2-hydroxy-3-morpholin-4-ylpropyl)-methylsulfamic acid?
The InChIKey is RYYCEBOKDVATQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-9(16(12,13)14)6-8(11)7-10-2-4-15-5-3-10/h8,11H,2-7H2,1H3,(H,12,13,14).
What are the key properties of (2-hydroxy-3-morpholin-4-ylpropyl)-methylsulfamic acid?
(2-hydroxy-3-morpholin-4-ylpropyl)-methylsulfamic acid has a molecular weight of 254.31 g/mol, XLogP of -1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-morpholin-4-ylpropyl)-methylsulfamic acid is sourced from PubChem (CID 3123588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).