N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide

C9H18N2O3S — CID 82908917

IUPACN-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
SMILESO=C(NCCOCCO)C1CSCCN1
InChIInChI=1S/C9H18N2O3S/c12-3-5-14-4-1-11-9(13)8-7-15-6-2-10-8/h8,10,12H,1-7H2,(H,11,13)
InChIKeyZHOXBFQMLLLMMG-UHFFFAOYSA-N
MW234.32 g/mol
LogP-1.18
Rot. Bonds6

About N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide

N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide (PubChem CID 82908917) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
PubChem CID82908917
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
SMILESO=C(NCCOCCO)C1CSCCN1
InChIInChI=1S/C9H18N2O3S/c12-3-5-14-4-1-11-9(13)8-7-15-6-2-10-8/h8,10,12H,1-7H2,(H,11,13)
InChIKeyZHOXBFQMLLLMMG-UHFFFAOYSA-N
XLogP-1.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide 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

N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420493
(2R)-N-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxamide
CID 104901055
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide
CID 113410105
N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
CID 83111071
N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide
CID 82917885
N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280656
N-[2-(trifluoromethylsulfanyl)ethyl]thiomorpholine-3-carboxamide
CID 106428279
N-[2-(cyclopropylmethoxy)ethyl]-1,3-thiazolidine-4-carboxamide
CID 103795956
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82908901

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide (CID 82908917) is N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide is O=C(NCCOCCO)C1CSCCN1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide?
The InChIKey is ZHOXBFQMLLLMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c12-3-5-14-4-1-11-9(13)8-7-15-6-2-10-8/h8,10,12H,1-7H2,(H,11,13).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide?
N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide has a molecular weight of 234.32 g/mol, XLogP of -1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).