N-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide

C10H19NO3S — CID 80596299

IUPACN-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide
SMILESO=C(NCCOCCO)C1CCCCS1
InChIInChI=1S/C10H19NO3S/c12-5-7-14-6-4-11-10(13)9-3-1-2-8-15-9/h9,12H,1-8H2,(H,11,13)
InChIKeyMSZGTIQQLVYZLE-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.40
Rot. Bonds6

About N-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide

N-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide (PubChem CID 80596299) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide
PubChem CID80596299
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide
SMILESO=C(NCCOCCO)C1CCCCS1
InChIInChI=1S/C10H19NO3S/c12-5-7-14-6-4-11-10(13)9-3-1-2-8-15-9/h9,12H,1-8H2,(H,11,13)
InChIKeyMSZGTIQQLVYZLE-UHFFFAOYSA-N
XLogP0.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)thiane-2-carboxamide
CID 80595762
N-(6-hydroxyhexyl)thiolane-2-carboxamide
CID 103919325
N-butylthiane-2-carboxamide
CID 110848251
N-(4-chlorobutyl)thiane-2-carboxamide
CID 106845450
N-[2-(2-hydroxyethoxy)ethyl]oxane-2-carboxamide
CID 62498272
N-(3-sulfamoylpropyl)thiane-2-carboxamide
CID 80596435
N-[2-(3-aminophenoxy)ethyl]thiane-2-carboxamide
CID 80593925
1-cyclobutyl-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 116658500
(2R)-N-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxamide
CID 104901055
N-(2-chloro-3-methoxypropyl)thiane-2-carboxamide
CID 114298861
N'-cyclohexyl-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108504381
3-cyclopentyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 60654438

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide (CID 80596299) is N-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide is O=C(NCCOCCO)C1CCCCS1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide?
The InChIKey is MSZGTIQQLVYZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-5-7-14-6-4-11-10(13)9-3-1-2-8-15-9/h9,12H,1-8H2,(H,11,13).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide?
N-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide has a molecular weight of 233.33 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide is sourced from PubChem (CID 80596299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).