N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate

C8H17N2O5S- — CID 3123587

IUPACN-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate
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)/p-1
InChIKeyRYYCEBOKDVATQN-UHFFFAOYSA-M
MW253.30 g/mol
LogP-1.93
Rot. Bonds5

About N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate

N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate (PubChem CID 3123587) has the molecular formula C8H17N2O5S- and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate.

Molecular Properties

Compound NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate
PubChem CID3123587
Molecular FormulaC8H17N2O5S-
Molecular Weight253.30 g/mol
Exact Mass253.09
IUPAC NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate
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)/p-1
InChIKeyRYYCEBOKDVATQN-UHFFFAOYSA-M
XLogP-1.93
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-1.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate?
The IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate (CID 3123587) is N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate.
What is the SMILES notation for N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate?
The canonical SMILES for N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate is CN(CC(O)CN1CCOCC1)S(=O)(=O)[O-].
What is the InChIKey of N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate?
The InChIKey is RYYCEBOKDVATQN-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate?
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate has a molecular weight of 253.30 g/mol, XLogP of -1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate is sourced from PubChem (CID 3123587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).