4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid

C9H18N2O2S — CID 82905755

IUPAC4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid
SMILESCN(C)CCN1CCSCC1C(=O)O
InChIInChI=1S/C9H18N2O2S/c1-10(2)3-4-11-5-6-14-7-8(11)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyRRYSRUWIHDMGBV-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.05
Rot. Bonds4

About 4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid

4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid (PubChem CID 82905755) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid
PubChem CID82905755
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid
SMILESCN(C)CCN1CCSCC1C(=O)O
InChIInChI=1S/C9H18N2O2S/c1-10(2)3-4-11-5-6-14-7-8(11)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyRRYSRUWIHDMGBV-UHFFFAOYSA-N
XLogP0.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid
CID 114525954
4-(3-methylbut-3-enyl)thiomorpholine-3-carboxylic acid
CID 114473231
4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid
CID 106727669
4-(3-methylsulfonylpropyl)thiomorpholine-3-carboxylic acid
CID 82905864
4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid
CID 82909368
4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid
CID 82906797
4-(2-tert-butylsulfonylethyl)thiomorpholine-3-carboxylic acid
CID 106727671
4-pent-4-enylthiomorpholine-3-carboxylic acid
CID 82906566
1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431248
4-(4-cyano-4-methylpentyl)thiomorpholine-3-carboxylic acid
CID 82906395
4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82906683
1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351458

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid (CID 82905755) is 4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid is CN(C)CCN1CCSCC1C(=O)O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid?
The InChIKey is RRYSRUWIHDMGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-10(2)3-4-11-5-6-14-7-8(11)9(12)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid?
4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid has a molecular weight of 218.32 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82905755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).