4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid

C13H24N2O5S — CID 82902111

IUPAC4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid
SMILESCOCCCN(CCOC)C(=O)N1CCSCC1C(=O)O
InChIInChI=1S/C13H24N2O5S/c1-19-7-3-4-14(5-8-20-2)13(18)15-6-9-21-10-11(15)12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyKQCDGDMJBGOIDR-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.59
Rot. Bonds8

About 4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid

4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid (PubChem CID 82902111) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid
PubChem CID82902111
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid
SMILESCOCCCN(CCOC)C(=O)N1CCSCC1C(=O)O
InChIInChI=1S/C13H24N2O5S/c1-19-7-3-4-14(5-8-20-2)13(18)15-6-9-21-10-11(15)12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyKQCDGDMJBGOIDR-UHFFFAOYSA-N
XLogP0.59
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-methoxypropyl(methyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82906432
4-[(2-amino-2-oxoethyl)-butylcarbamoyl]thiomorpholine-3-carboxylic acid
CID 82905204
4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid
CID 82900985
4-[methyl(2-propan-2-yloxyethyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82906661
4-[3-hydroxypropyl(propan-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904966
4-[methyl(3-methylsulfanylpropyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 114237830
4-[ethyl(propan-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904060
4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid
CID 113467941
4-[2,2-dimethylpropyl(methyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904813
4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid
CID 82909368
4-[2-(3-methoxypropylamino)-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82905514
4-[methyl(thiolan-3-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904711

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid (CID 82902111) is 4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid is COCCCN(CCOC)C(=O)N1CCSCC1C(=O)O.
What is the InChIKey of 4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid?
The InChIKey is KQCDGDMJBGOIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-19-7-3-4-14(5-8-20-2)13(18)15-6-9-21-10-11(15)12(16)17/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid?
4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82902111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).