2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid

C11H21NO3S — CID 66444360

IUPAC2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid
SMILESCC(C)OCCN1CCSCC1CC(=O)O
InChIInChI=1S/C11H21NO3S/c1-9(2)15-5-3-12-4-6-16-8-10(12)7-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyZCVMOBHMMLIOLE-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.30
Rot. Bonds6

About 2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid

2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid (PubChem CID 66444360) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid
PubChem CID66444360
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid
SMILESCC(C)OCCN1CCSCC1CC(=O)O
InChIInChI=1S/C11H21NO3S/c1-9(2)15-5-3-12-4-6-16-8-10(12)7-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyZCVMOBHMMLIOLE-UHFFFAOYSA-N
XLogP1.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid (CID 66444360) is 2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid is CC(C)OCCN1CCSCC1CC(=O)O.
What is the InChIKey of 2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is ZCVMOBHMMLIOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-9(2)15-5-3-12-4-6-16-8-10(12)7-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid?
2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 247.36 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66444360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).