ethane;4-propylthiomorpholine-3-carboxylic acid

C10H21NO2S — CID 143767700

IUPACethane;4-propylthiomorpholine-3-carboxylic acid
SMILESCC.CCCN1CCSCC1C(=O)O
InChIInChI=1S/C8H15NO2S.C2H6/c1-2-3-9-4-5-12-6-7(9)8(10)11;1-2/h7H,2-6H2,1H3,(H,10,11);1-2H3
InChIKeyBSERWIHZQCXNDO-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.92
Rot. Bonds3

About ethane;4-propylthiomorpholine-3-carboxylic acid

ethane;4-propylthiomorpholine-3-carboxylic acid (PubChem CID 143767700) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is ethane;4-propylthiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Nameethane;4-propylthiomorpholine-3-carboxylic acid
PubChem CID143767700
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Nameethane;4-propylthiomorpholine-3-carboxylic acid
SMILESCC.CCCN1CCSCC1C(=O)O
InChIInChI=1S/C8H15NO2S.C2H6/c1-2-3-9-4-5-12-6-7(9)8(10)11;1-2/h7H,2-6H2,1H3,(H,10,11);1-2H3
InChIKeyBSERWIHZQCXNDO-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-propylthiomorpholine-3-carboxylic acid?
The IUPAC name of ethane;4-propylthiomorpholine-3-carboxylic acid (CID 143767700) is ethane;4-propylthiomorpholine-3-carboxylic acid.
What is the SMILES notation for ethane;4-propylthiomorpholine-3-carboxylic acid?
The canonical SMILES for ethane;4-propylthiomorpholine-3-carboxylic acid is CC.CCCN1CCSCC1C(=O)O.
What is the InChIKey of ethane;4-propylthiomorpholine-3-carboxylic acid?
The InChIKey is BSERWIHZQCXNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S.C2H6/c1-2-3-9-4-5-12-6-7(9)8(10)11;1-2/h7H,2-6H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;4-propylthiomorpholine-3-carboxylic acid?
ethane;4-propylthiomorpholine-3-carboxylic acid has a molecular weight of 219.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propylthiomorpholine-3-carboxylic acid is sourced from PubChem (CID 143767700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).