4-cyclopentylsulfonyl-3-isocyanatomorpholine

C10H16N2O4S — CID 105361220

IUPAC4-cyclopentylsulfonyl-3-isocyanatomorpholine
SMILESO=C=NC1COCCN1S(=O)(=O)C1CCCC1
InChIInChI=1S/C10H16N2O4S/c13-8-11-10-7-16-6-5-12(10)17(14,15)9-3-1-2-4-9/h9-10H,1-7H2
InChIKeyGIQSYXPIUIMKQY-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.25
Rot. Bonds3

About 4-cyclopentylsulfonyl-3-isocyanatomorpholine

4-cyclopentylsulfonyl-3-isocyanatomorpholine (PubChem CID 105361220) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-3-isocyanatomorpholine.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-3-isocyanatomorpholine
PubChem CID105361220
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name4-cyclopentylsulfonyl-3-isocyanatomorpholine
SMILESO=C=NC1COCCN1S(=O)(=O)C1CCCC1
InChIInChI=1S/C10H16N2O4S/c13-8-11-10-7-16-6-5-12(10)17(14,15)9-3-1-2-4-9/h9-10H,1-7H2
InChIKeyGIQSYXPIUIMKQY-UHFFFAOYSA-N
XLogP0.25
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonyl-3-isocyanatomorpholine?
The IUPAC name of 4-cyclopentylsulfonyl-3-isocyanatomorpholine (CID 105361220) is 4-cyclopentylsulfonyl-3-isocyanatomorpholine.
What is the SMILES notation for 4-cyclopentylsulfonyl-3-isocyanatomorpholine?
The canonical SMILES for 4-cyclopentylsulfonyl-3-isocyanatomorpholine is O=C=NC1COCCN1S(=O)(=O)C1CCCC1.
What is the InChIKey of 4-cyclopentylsulfonyl-3-isocyanatomorpholine?
The InChIKey is GIQSYXPIUIMKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c13-8-11-10-7-16-6-5-12(10)17(14,15)9-3-1-2-4-9/h9-10H,1-7H2.
What are the key properties of 4-cyclopentylsulfonyl-3-isocyanatomorpholine?
4-cyclopentylsulfonyl-3-isocyanatomorpholine has a molecular weight of 260.31 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-3-isocyanatomorpholine is sourced from PubChem (CID 105361220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).