5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine

C16H32N2OS — CID 149124486

IUPAC5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine
SMILESCCCC1CNC(C(C)C(C)CC2CNCCS2)CO1
InChIInChI=1S/C16H32N2OS/c1-4-5-14-9-18-16(11-19-14)13(3)12(2)8-15-10-17-6-7-20-15/h12-18H,4-11H2,1-3H3
InChIKeyRAPVUZSYJOBFMR-UHFFFAOYSA-N
MW300.51 g/mol
LogP2.51
Rot. Bonds6

About 5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine

5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine (PubChem CID 149124486) has the molecular formula C16H32N2OS and a molecular weight of 300.51 g/mol. Its IUPAC name is 5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine.

Molecular Properties

Compound Name5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine
PubChem CID149124486
Molecular FormulaC16H32N2OS
Molecular Weight300.51 g/mol
Exact Mass300.22
IUPAC Name5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine
SMILESCCCC1CNC(C(C)C(C)CC2CNCCS2)CO1
InChIInChI=1S/C16H32N2OS/c1-4-5-14-9-18-16(11-19-14)13(3)12(2)8-15-10-17-6-7-20-15/h12-18H,4-11H2,1-3H3
InChIKeyRAPVUZSYJOBFMR-UHFFFAOYSA-N
XLogP2.51
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine 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 5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine?
The IUPAC name of 5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine (CID 149124486) is 5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine.
What is the SMILES notation for 5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine?
The canonical SMILES for 5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine is CCCC1CNC(C(C)C(C)CC2CNCCS2)CO1.
What is the InChIKey of 5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine?
The InChIKey is RAPVUZSYJOBFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2OS/c1-4-5-14-9-18-16(11-19-14)13(3)12(2)8-15-10-17-6-7-20-15/h12-18H,4-11H2,1-3H3.
What are the key properties of 5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine?
5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine has a molecular weight of 300.51 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-4-thiomorpholin-2-ylbutan-2-yl)-2-propylmorpholine is sourced from PubChem (CID 149124486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).