4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine

C24H44N6O4S5 — CID 151106919

IUPAC4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine
SMILESO=S(=O)(N1CCSC(N2CCOCC2)(N2CCSCC2)C1)N1CCSC(N2CCOCC2)(N2CCSCC2)C1
InChIInChI=1S/C24H44N6O4S5/c31-39(32,29-9-19-37-23(21-29,25-1-11-33-12-2-25)27-5-15-35-16-6-27)30-10-20-38-24(22-30,26-3-13-34-14-4-26)28-7-17-36-18-8-28/h1-22H2
InChIKeyMPHMEZBTNHLLGR-UHFFFAOYSA-N
MW640.99 g/mol
LogP0.40
Rot. Bonds6

About 4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine

4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine (PubChem CID 151106919) has the molecular formula C24H44N6O4S5 and a molecular weight of 640.99 g/mol. Its IUPAC name is 4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine
PubChem CID151106919
Molecular FormulaC24H44N6O4S5
Molecular Weight640.99 g/mol
Exact Mass640.20
IUPAC Name4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine
SMILESO=S(=O)(N1CCSC(N2CCOCC2)(N2CCSCC2)C1)N1CCSC(N2CCOCC2)(N2CCSCC2)C1
InChIInChI=1S/C24H44N6O4S5/c31-39(32,29-9-19-37-23(21-29,25-1-11-33-12-2-25)27-5-15-35-16-6-27)30-10-20-38-24(22-30,26-3-13-34-14-4-26)28-7-17-36-18-8-28/h1-22H2
InChIKeyMPHMEZBTNHLLGR-UHFFFAOYSA-N
XLogP0.40
TPSA72.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.99
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine 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-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine (CID 151106919) is 4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine is O=S(=O)(N1CCSC(N2CCOCC2)(N2CCSCC2)C1)N1CCSC(N2CCOCC2)(N2CCSCC2)C1.
What is the InChIKey of 4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine?
The InChIKey is MPHMEZBTNHLLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N6O4S5/c31-39(32,29-9-19-37-23(21-29,25-1-11-33-12-2-25)27-5-15-35-16-6-27)30-10-20-38-24(22-30,26-3-13-34-14-4-26)28-7-17-36-18-8-28/h1-22H2.
What are the key properties of 4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine?
4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine has a molecular weight of 640.99 g/mol, XLogP of 0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine is sourced from PubChem (CID 151106919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).