4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid

C9H15NO2S2 — CID 164654282

IUPAC4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C2CCSC2)CCS1
InChIInChI=1S/C9H15NO2S2/c11-9(12)8-5-10(2-4-14-8)7-1-3-13-6-7/h7-8H,1-6H2,(H,11,12)
InChIKeyFINUQGZYTCALFB-UHFFFAOYSA-N
MW233.36 g/mol
LogP0.99
Rot. Bonds2

About 4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid

4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid (PubChem CID 164654282) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid
PubChem CID164654282
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC Name4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C2CCSC2)CCS1
InChIInChI=1S/C9H15NO2S2/c11-9(12)8-5-10(2-4-14-8)7-1-3-13-6-7/h7-8H,1-6H2,(H,11,12)
InChIKeyFINUQGZYTCALFB-UHFFFAOYSA-N
XLogP0.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid?
The IUPAC name of 4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid (CID 164654282) is 4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid.
What is the SMILES notation for 4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid?
The canonical SMILES for 4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid is O=C(O)C1CN(C2CCSC2)CCS1.
What is the InChIKey of 4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid?
The InChIKey is FINUQGZYTCALFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c11-9(12)8-5-10(2-4-14-8)7-1-3-13-6-7/h7-8H,1-6H2,(H,11,12).
What are the key properties of 4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid?
4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid has a molecular weight of 233.36 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-3-yl)thiomorpholine-2-carboxylic acid is sourced from PubChem (CID 164654282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).