4-(thiomorpholin-3-ylmethyl)morpholine

C9H18N2OS — CID 82916322

IUPAC4-(thiomorpholin-3-ylmethyl)morpholine
SMILESC1CSCC(CN2CCOCC2)N1
InChIInChI=1S/C9H18N2OS/c1-6-13-8-9(10-1)7-11-2-4-12-5-3-11/h9-10H,1-8H2
InChIKeyHPDXKIMCWRBGQW-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.02
Rot. Bonds2

About 4-(thiomorpholin-3-ylmethyl)morpholine

4-(thiomorpholin-3-ylmethyl)morpholine (PubChem CID 82916322) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 4-(thiomorpholin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(thiomorpholin-3-ylmethyl)morpholine
PubChem CID82916322
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name4-(thiomorpholin-3-ylmethyl)morpholine
SMILESC1CSCC(CN2CCOCC2)N1
InChIInChI=1S/C9H18N2OS/c1-6-13-8-9(10-1)7-11-2-4-12-5-3-11/h9-10H,1-8H2
InChIKeyHPDXKIMCWRBGQW-UHFFFAOYSA-N
XLogP0.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(thiomorpholin-3-ylmethyl)morpholine?
The IUPAC name of 4-(thiomorpholin-3-ylmethyl)morpholine (CID 82916322) is 4-(thiomorpholin-3-ylmethyl)morpholine.
What is the SMILES notation for 4-(thiomorpholin-3-ylmethyl)morpholine?
The canonical SMILES for 4-(thiomorpholin-3-ylmethyl)morpholine is C1CSCC(CN2CCOCC2)N1.
What is the InChIKey of 4-(thiomorpholin-3-ylmethyl)morpholine?
The InChIKey is HPDXKIMCWRBGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-6-13-8-9(10-1)7-11-2-4-12-5-3-11/h9-10H,1-8H2.
What are the key properties of 4-(thiomorpholin-3-ylmethyl)morpholine?
4-(thiomorpholin-3-ylmethyl)morpholine has a molecular weight of 202.32 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiomorpholin-3-ylmethyl)morpholine is sourced from PubChem (CID 82916322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).