potassium N-[3-(diethylamino)-2-hydroxypropyl]-N-methylsulfamate

C8H19KN2O4S — CID 23684915

IUPACpotassium N-[3-(diethylamino)-2-hydroxypropyl]-N-methylsulfamate
SMILESCCN(CC)CC(O)CN(C)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C8H20N2O4S.K/c1-4-10(5-2)7-8(11)6-9(3)15(12,13)14;/h8,11H,4-7H2,1-3H3,(H,12,13,14);/q;+1/p-1
InChIKeyRXFGZSDZOCOXHO-UHFFFAOYSA-M
MW278.41 g/mol
LogP-3.91
Rot. Bonds7

About potassium N-[3-(diethylamino)-2-hydroxypropyl]-N-methylsulfamate

potassium N-[3-(diethylamino)-2-hydroxypropyl]-N-methylsulfamate (PubChem CID 23684915) has the molecular formula C8H19KN2O4S and a molecular weight of 278.41 g/mol. Its IUPAC name is potassium N-[3-(diethylamino)-2-hydroxypropyl]-N-methylsulfamate.

Molecular Properties

Compound Namepotassium N-[3-(diethylamino)-2-hydroxypropyl]-N-methylsulfamate
PubChem CID23684915
Molecular FormulaC8H19KN2O4S
Molecular Weight278.41 g/mol
Exact Mass278.07
IUPAC Namepotassium N-[3-(diethylamino)-2-hydroxypropyl]-N-methylsulfamate
SMILESCCN(CC)CC(O)CN(C)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C8H20N2O4S.K/c1-4-10(5-2)7-8(11)6-9(3)15(12,13)14;/h8,11H,4-7H2,1-3H3,(H,12,13,14);/q;+1/p-1
InChIKeyRXFGZSDZOCOXHO-UHFFFAOYSA-M
XLogP-3.91
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 5-3.91
H-Bond Donors ≤ 51
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 potassium N-[3-(diethylamino)-2-hydroxypropyl]-N-methylsulfamate?
The IUPAC name of potassium N-[3-(diethylamino)-2-hydroxypropyl]-N-methylsulfamate (CID 23684915) is potassium N-[3-(diethylamino)-2-hydroxypropyl]-N-methylsulfamate.
What is the SMILES notation for potassium N-[3-(diethylamino)-2-hydroxypropyl]-N-methylsulfamate?
The canonical SMILES for potassium N-[3-(diethylamino)-2-hydroxypropyl]-N-methylsulfamate is CCN(CC)CC(O)CN(C)S(=O)(=O)[O-].[K+].
What is the InChIKey of potassium N-[3-(diethylamino)-2-hydroxypropyl]-N-methylsulfamate?
The InChIKey is RXFGZSDZOCOXHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N2O4S.K/c1-4-10(5-2)7-8(11)6-9(3)15(12,13)14;/h8,11H,4-7H2,1-3H3,(H,12,13,14);/q;+1/p-1.
What are the key properties of potassium N-[3-(diethylamino)-2-hydroxypropyl]-N-methylsulfamate?
potassium N-[3-(diethylamino)-2-hydroxypropyl]-N-methylsulfamate has a molecular weight of 278.41 g/mol, XLogP of -3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-[3-(diethylamino)-2-hydroxypropyl]-N-methylsulfamate is sourced from PubChem (CID 23684915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).