N-(2-morpholin-4-ylethyl)sulfamate

C6H13N2O4S- — CID 58571363

IUPACN-(2-morpholin-4-ylethyl)sulfamate
SMILESO=S(=O)([O-])NCCN1CCOCC1
InChIInChI=1S/C6H14N2O4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h7H,1-6H2,(H,9,10,11)/p-1
InChIKeyHYHNBWXFTQHYPB-UHFFFAOYSA-M
MW209.25 g/mol
LogP-1.63
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)sulfamate

N-(2-morpholin-4-ylethyl)sulfamate (PubChem CID 58571363) has the molecular formula C6H13N2O4S- and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)sulfamate.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)sulfamate
PubChem CID58571363
Molecular FormulaC6H13N2O4S-
Molecular Weight209.25 g/mol
Exact Mass209.06
IUPAC NameN-(2-morpholin-4-ylethyl)sulfamate
SMILESO=S(=O)([O-])NCCN1CCOCC1
InChIInChI=1S/C6H14N2O4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h7H,1-6H2,(H,9,10,11)/p-1
InChIKeyHYHNBWXFTQHYPB-UHFFFAOYSA-M
XLogP-1.63
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-1.63
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 N-(2-morpholin-4-ylethyl)sulfamate?
The IUPAC name of N-(2-morpholin-4-ylethyl)sulfamate (CID 58571363) is N-(2-morpholin-4-ylethyl)sulfamate.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)sulfamate?
The canonical SMILES for N-(2-morpholin-4-ylethyl)sulfamate is O=S(=O)([O-])NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)sulfamate?
The InChIKey is HYHNBWXFTQHYPB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N2O4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h7H,1-6H2,(H,9,10,11)/p-1.
What are the key properties of N-(2-morpholin-4-ylethyl)sulfamate?
N-(2-morpholin-4-ylethyl)sulfamate has a molecular weight of 209.25 g/mol, XLogP of -1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)sulfamate is sourced from PubChem (CID 58571363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).