4-(thiophen-2-ylmethyl)thiomorpholine

C9H13NS2 — CID 792399

IUPAC4-(thiophen-2-ylmethyl)thiomorpholine
SMILESc1csc(CN2CCSCC2)c1
InChIInChI=1S/C9H13NS2/c1-2-9(12-5-1)8-10-3-6-11-7-4-10/h1-2,5H,3-4,6-8H2
InChIKeyICBANYDRDPPZDR-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.30
Rot. Bonds2

About 4-(thiophen-2-ylmethyl)thiomorpholine

4-(thiophen-2-ylmethyl)thiomorpholine (PubChem CID 792399) has the molecular formula C9H13NS2 and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethyl)thiomorpholine.

Molecular Properties

Compound Name4-(thiophen-2-ylmethyl)thiomorpholine
PubChem CID792399
Molecular FormulaC9H13NS2
Molecular Weight199.34 g/mol
Exact Mass199.05
IUPAC Name4-(thiophen-2-ylmethyl)thiomorpholine
SMILESc1csc(CN2CCSCC2)c1
InChIInChI=1S/C9H13NS2/c1-2-9(12-5-1)8-10-3-6-11-7-4-10/h1-2,5H,3-4,6-8H2
InChIKeyICBANYDRDPPZDR-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiophen-2-ylmethyl)piperazine
CID 566208
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614
1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine
CID 139216002
4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
CID 60679812
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866
N'-methyl-N-(2-thiomorpholin-4-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 119153511
1-(2-bromoethyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 80667707
3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 43397030
1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 83084047
[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
CID 104695288

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethyl)thiomorpholine?
The IUPAC name of 4-(thiophen-2-ylmethyl)thiomorpholine (CID 792399) is 4-(thiophen-2-ylmethyl)thiomorpholine.
What is the SMILES notation for 4-(thiophen-2-ylmethyl)thiomorpholine?
The canonical SMILES for 4-(thiophen-2-ylmethyl)thiomorpholine is c1csc(CN2CCSCC2)c1.
What is the InChIKey of 4-(thiophen-2-ylmethyl)thiomorpholine?
The InChIKey is ICBANYDRDPPZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS2/c1-2-9(12-5-1)8-10-3-6-11-7-4-10/h1-2,5H,3-4,6-8H2.
What are the key properties of 4-(thiophen-2-ylmethyl)thiomorpholine?
4-(thiophen-2-ylmethyl)thiomorpholine has a molecular weight of 199.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethyl)thiomorpholine is sourced from PubChem (CID 792399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).