4-(4-chlorobutylsulfonyl)morpholine

C8H16ClNO3S — CID 28704645

IUPAC4-(4-chlorobutylsulfonyl)morpholine
SMILESO=S(=O)(CCCCCl)N1CCOCC1
InChIInChI=1S/C8H16ClNO3S/c9-3-1-2-8-14(11,12)10-4-6-13-7-5-10/h1-8H2
InChIKeyQNZIXYDKUCROIB-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.67
Rot. Bonds5

About 4-(4-chlorobutylsulfonyl)morpholine

4-(4-chlorobutylsulfonyl)morpholine (PubChem CID 28704645) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 4-(4-chlorobutylsulfonyl)morpholine.

Molecular Properties

Compound Name4-(4-chlorobutylsulfonyl)morpholine
PubChem CID28704645
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name4-(4-chlorobutylsulfonyl)morpholine
SMILESO=S(=O)(CCCCCl)N1CCOCC1
InChIInChI=1S/C8H16ClNO3S/c9-3-1-2-8-14(11,12)10-4-6-13-7-5-10/h1-8H2
InChIKeyQNZIXYDKUCROIB-UHFFFAOYSA-N
XLogP0.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobutylsulfonyl)morpholine?
The IUPAC name of 4-(4-chlorobutylsulfonyl)morpholine (CID 28704645) is 4-(4-chlorobutylsulfonyl)morpholine.
What is the SMILES notation for 4-(4-chlorobutylsulfonyl)morpholine?
The canonical SMILES for 4-(4-chlorobutylsulfonyl)morpholine is O=S(=O)(CCCCCl)N1CCOCC1.
What is the InChIKey of 4-(4-chlorobutylsulfonyl)morpholine?
The InChIKey is QNZIXYDKUCROIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c9-3-1-2-8-14(11,12)10-4-6-13-7-5-10/h1-8H2.
What are the key properties of 4-(4-chlorobutylsulfonyl)morpholine?
4-(4-chlorobutylsulfonyl)morpholine has a molecular weight of 241.74 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobutylsulfonyl)morpholine is sourced from PubChem (CID 28704645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).