4-[[5-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine

C14H22N2S3 — CID 155558013

IUPAC4-[[5-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine
SMILESc1cc(CN2CCSCC2)sc1CN1CCSCC1
InChIInChI=1S/C14H22N2S3/c1-2-14(12-16-5-9-18-10-6-16)19-13(1)11-15-3-7-17-8-4-15/h1-2H,3-12H2
InChIKeyLPMDZASDAAARCU-UHFFFAOYSA-N
MW314.55 g/mol
LogP2.85
Rot. Bonds4

About 4-[[5-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine

4-[[5-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine (PubChem CID 155558013) has the molecular formula C14H22N2S3 and a molecular weight of 314.55 g/mol. Its IUPAC name is 4-[[5-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine.

Molecular Properties

Compound Name4-[[5-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine
PubChem CID155558013
Molecular FormulaC14H22N2S3
Molecular Weight314.55 g/mol
Exact Mass314.09
IUPAC Name4-[[5-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine
SMILESc1cc(CN2CCSCC2)sc1CN1CCSCC1
InChIInChI=1S/C14H22N2S3/c1-2-14(12-16-5-9-18-10-6-16)19-13(1)11-15-3-7-17-8-4-15/h1-2H,3-12H2
InChIKeyLPMDZASDAAARCU-UHFFFAOYSA-N
XLogP2.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.55
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine?
The IUPAC name of 4-[[5-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine (CID 155558013) is 4-[[5-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine.
What is the SMILES notation for 4-[[5-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine?
The canonical SMILES for 4-[[5-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine is c1cc(CN2CCSCC2)sc1CN1CCSCC1.
What is the InChIKey of 4-[[5-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine?
The InChIKey is LPMDZASDAAARCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S3/c1-2-14(12-16-5-9-18-10-6-16)19-13(1)11-15-3-7-17-8-4-15/h1-2H,3-12H2.
What are the key properties of 4-[[5-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine?
4-[[5-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine has a molecular weight of 314.55 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine is sourced from PubChem (CID 155558013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).