3-(thiomorpholin-3-ylmethyl)thiomorpholine

C9H18N2S2 — CID 68605296

IUPAC3-(thiomorpholin-3-ylmethyl)thiomorpholine
SMILESC1CSCC(CC2CSCCN2)N1
InChIInChI=1S/C9H18N2S2/c1-3-12-6-8(10-1)5-9-7-13-4-2-11-9/h8-11H,1-7H2
InChIKeyAYBBEFKQDMNKOV-UHFFFAOYSA-N
MW218.39 g/mol
LogP0.79
Rot. Bonds2

About 3-(thiomorpholin-3-ylmethyl)thiomorpholine

3-(thiomorpholin-3-ylmethyl)thiomorpholine (PubChem CID 68605296) has the molecular formula C9H18N2S2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 3-(thiomorpholin-3-ylmethyl)thiomorpholine.

Molecular Properties

Compound Name3-(thiomorpholin-3-ylmethyl)thiomorpholine
PubChem CID68605296
Molecular FormulaC9H18N2S2
Molecular Weight218.39 g/mol
Exact Mass218.09
IUPAC Name3-(thiomorpholin-3-ylmethyl)thiomorpholine
SMILESC1CSCC(CC2CSCCN2)N1
InChIInChI=1S/C9H18N2S2/c1-3-12-6-8(10-1)5-9-7-13-4-2-11-9/h8-11H,1-7H2
InChIKeyAYBBEFKQDMNKOV-UHFFFAOYSA-N
XLogP0.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(bromomethyl)thiomorpholine
CID 119096156
N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916840
5-thiomorpholin-3-ylpentan-1-ol
CID 18958782
1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine
CID 82916870
2-(thiolan-3-ylmethyl)pyrrolidine
CID 82653355
N-(2-thiomorpholin-3-ylethyl)cyclobutanamine
CID 66420156
3-[(4-ethylphenyl)methyl]thiomorpholine
CID 82286776
3-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine
CID 66422116
N-(2-thiomorpholin-3-ylethyl)butan-1-amine
CID 66422325
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
3-[2-(2,3-dimethylpiperidin-1-yl)ethyl]thiomorpholine
CID 66420348
1-cyclopropyl-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916645

Frequently Asked Questions

What is the IUPAC name of 3-(thiomorpholin-3-ylmethyl)thiomorpholine?
The IUPAC name of 3-(thiomorpholin-3-ylmethyl)thiomorpholine (CID 68605296) is 3-(thiomorpholin-3-ylmethyl)thiomorpholine.
What is the SMILES notation for 3-(thiomorpholin-3-ylmethyl)thiomorpholine?
The canonical SMILES for 3-(thiomorpholin-3-ylmethyl)thiomorpholine is C1CSCC(CC2CSCCN2)N1.
What is the InChIKey of 3-(thiomorpholin-3-ylmethyl)thiomorpholine?
The InChIKey is AYBBEFKQDMNKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S2/c1-3-12-6-8(10-1)5-9-7-13-4-2-11-9/h8-11H,1-7H2.
What are the key properties of 3-(thiomorpholin-3-ylmethyl)thiomorpholine?
3-(thiomorpholin-3-ylmethyl)thiomorpholine has a molecular weight of 218.39 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiomorpholin-3-ylmethyl)thiomorpholine is sourced from PubChem (CID 68605296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).