N-(2-methoxyethyl)sulfamate

C3H8NO4S- — CID 59847909

IUPACN-(2-methoxyethyl)sulfamate
SMILESCOCCNS(=O)(=O)[O-]
InChIInChI=1S/C3H9NO4S/c1-8-3-2-4-9(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)/p-1
InChIKeySAYKVFXBTDYPOP-UHFFFAOYSA-M
MW154.17 g/mol
LogP-1.32
Rot. Bonds4

About N-(2-methoxyethyl)sulfamate

N-(2-methoxyethyl)sulfamate (PubChem CID 59847909) has the molecular formula C3H8NO4S- and a molecular weight of 154.17 g/mol. Its IUPAC name is N-(2-methoxyethyl)sulfamate.

Molecular Properties

Compound NameN-(2-methoxyethyl)sulfamate
PubChem CID59847909
Molecular FormulaC3H8NO4S-
Molecular Weight154.17 g/mol
Exact Mass154.02
IUPAC NameN-(2-methoxyethyl)sulfamate
SMILESCOCCNS(=O)(=O)[O-]
InChIInChI=1S/C3H9NO4S/c1-8-3-2-4-9(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)/p-1
InChIKeySAYKVFXBTDYPOP-UHFFFAOYSA-M
XLogP-1.32
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)sulfamate?
The IUPAC name of N-(2-methoxyethyl)sulfamate (CID 59847909) is N-(2-methoxyethyl)sulfamate.
What is the SMILES notation for N-(2-methoxyethyl)sulfamate?
The canonical SMILES for N-(2-methoxyethyl)sulfamate is COCCNS(=O)(=O)[O-].
What is the InChIKey of N-(2-methoxyethyl)sulfamate?
The InChIKey is SAYKVFXBTDYPOP-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9NO4S/c1-8-3-2-4-9(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)/p-1.
What are the key properties of N-(2-methoxyethyl)sulfamate?
N-(2-methoxyethyl)sulfamate has a molecular weight of 154.17 g/mol, XLogP of -1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)sulfamate is sourced from PubChem (CID 59847909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).