4-tert-butylsulfonylmorpholine

C8H17NO3S — CID 20674904

IUPAC4-tert-butylsulfonylmorpholine
SMILESCC(C)(C)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-8(2,3)13(10,11)9-4-6-12-7-5-9/h4-7H2,1-3H3
InChIKeyBFOHUVYGIVRMOB-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.45
Rot. Bonds1

About 4-tert-butylsulfonylmorpholine

4-tert-butylsulfonylmorpholine (PubChem CID 20674904) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-tert-butylsulfonylmorpholine.

Molecular Properties

Compound Name4-tert-butylsulfonylmorpholine
PubChem CID20674904
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name4-tert-butylsulfonylmorpholine
SMILESCC(C)(C)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-8(2,3)13(10,11)9-4-6-12-7-5-9/h4-7H2,1-3H3
InChIKeyBFOHUVYGIVRMOB-UHFFFAOYSA-N
XLogP0.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butylsulfonylmorpholine 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 4-tert-butylsulfonylmorpholine?
The IUPAC name of 4-tert-butylsulfonylmorpholine (CID 20674904) is 4-tert-butylsulfonylmorpholine.
What is the SMILES notation for 4-tert-butylsulfonylmorpholine?
The canonical SMILES for 4-tert-butylsulfonylmorpholine is CC(C)(C)S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-tert-butylsulfonylmorpholine?
The InChIKey is BFOHUVYGIVRMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(2,3)13(10,11)9-4-6-12-7-5-9/h4-7H2,1-3H3.
What are the key properties of 4-tert-butylsulfonylmorpholine?
4-tert-butylsulfonylmorpholine has a molecular weight of 207.29 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfonylmorpholine is sourced from PubChem (CID 20674904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).