deuterio N-cyclohexyl-N-deuteriosulfamate

C6H13NO3S — CID 138402727

IUPACdeuterio N-cyclohexyl-N-deuteriosulfamate
SMILES[2H]OS(=O)(=O)N([2H])C1CCCCC1
InChIInChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/i/hD2
InChIKeyHCAJEUSONLESMK-ZSJDYOACSA-N
MW181.25 g/mol
LogP0.71
Rot. Bonds3

About deuterio N-cyclohexyl-N-deuteriosulfamate

deuterio N-cyclohexyl-N-deuteriosulfamate (PubChem CID 138402727) has the molecular formula C6H13NO3S and a molecular weight of 181.25 g/mol. Its IUPAC name is deuterio N-cyclohexyl-N-deuteriosulfamate.

Molecular Properties

Compound Namedeuterio N-cyclohexyl-N-deuteriosulfamate
PubChem CID138402727
Molecular FormulaC6H13NO3S
Molecular Weight181.25 g/mol
Exact Mass181.07
IUPAC Namedeuterio N-cyclohexyl-N-deuteriosulfamate
SMILES[2H]OS(=O)(=O)N([2H])C1CCCCC1
InChIInChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/i/hD2
InChIKeyHCAJEUSONLESMK-ZSJDYOACSA-N
XLogP0.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze deuterio N-cyclohexyl-N-deuteriosulfamate 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 deuterio N-cyclohexyl-N-deuteriosulfamate?
The IUPAC name of deuterio N-cyclohexyl-N-deuteriosulfamate (CID 138402727) is deuterio N-cyclohexyl-N-deuteriosulfamate.
What is the SMILES notation for deuterio N-cyclohexyl-N-deuteriosulfamate?
The canonical SMILES for deuterio N-cyclohexyl-N-deuteriosulfamate is [2H]OS(=O)(=O)N([2H])C1CCCCC1.
What is the InChIKey of deuterio N-cyclohexyl-N-deuteriosulfamate?
The InChIKey is HCAJEUSONLESMK-ZSJDYOACSA-N. The full InChI is InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/i/hD2.
What are the key properties of deuterio N-cyclohexyl-N-deuteriosulfamate?
deuterio N-cyclohexyl-N-deuteriosulfamate has a molecular weight of 181.25 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio N-cyclohexyl-N-deuteriosulfamate is sourced from PubChem (CID 138402727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).