2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide

C8H17N3OS — CID 104874659

IUPAC2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide
SMILESCCC1CN(CC(N)=NO)CCS1
InChIInChI=1S/C8H17N3OS/c1-2-7-5-11(3-4-13-7)6-8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyJQOKUFNPSKVDFC-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.56
Rot. Bonds3

About 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide

2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide (PubChem CID 104874659) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide
PubChem CID104874659
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC Name2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide
SMILESCCC1CN(CC(N)=NO)CCS1
InChIInChI=1S/C8H17N3OS/c1-2-7-5-11(3-4-13-7)6-8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyJQOKUFNPSKVDFC-UHFFFAOYSA-N
XLogP0.56
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol
CID 106932899
N'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride
CID 57368865
4-butyl-2-ethylthiomorpholine
CID 13356762
3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol
CID 115927904
6-(2-ethylthiomorpholin-4-yl)hexan-1-ol
CID 103738012
2-(4-ethylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 74312988
2-[(3S)-3-fluoropyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129494574
N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide
CID 121202978
N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide
CID 129381008
2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129493815
(2S)-2-ethyl-4-methylthiomorpholine
CID 143445778
2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate
CID 75504321

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide (CID 104874659) is 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide is CCC1CN(CC(N)=NO)CCS1.
What is the InChIKey of 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide?
The InChIKey is JQOKUFNPSKVDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c1-2-7-5-11(3-4-13-7)6-8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide?
2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide has a molecular weight of 203.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 104874659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).