N-hydroxy-N'-thiomorpholin-2-ylmethanimidamide

C5H11N3OS — CID 173463197

IUPACN-hydroxy-N'-thiomorpholin-2-ylmethanimidamide
SMILESONC=NC1CNCCS1
InChIInChI=1S/C5H11N3OS/c9-8-4-7-5-3-6-1-2-10-5/h4-6,9H,1-3H2,(H,7,8)
InChIKeyFHRSIXVCBFHLQM-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.34
Rot. Bonds2

About N-hydroxy-N'-thiomorpholin-2-ylmethanimidamide

N-hydroxy-N'-thiomorpholin-2-ylmethanimidamide (PubChem CID 173463197) has the molecular formula C5H11N3OS and a molecular weight of 161.23 g/mol. Its IUPAC name is N-hydroxy-N'-thiomorpholin-2-ylmethanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-thiomorpholin-2-ylmethanimidamide
PubChem CID173463197
Molecular FormulaC5H11N3OS
Molecular Weight161.23 g/mol
Exact Mass161.06
IUPAC NameN-hydroxy-N'-thiomorpholin-2-ylmethanimidamide
SMILESONC=NC1CNCCS1
InChIInChI=1S/C5H11N3OS/c9-8-4-7-5-3-6-1-2-10-5/h4-6,9H,1-3H2,(H,7,8)
InChIKeyFHRSIXVCBFHLQM-UHFFFAOYSA-N
XLogP-0.34
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-ylthiomorpholin-2-amine
CID 173143997
thiomorpholin-2-yl thiohypochlorite
CID 154410723
2-methylthiomorpholine
CID 14953857
2-thiomorpholin-2-ylpropan-2-ol
CID 83618265
2-ethylthiomorpholine
CID 21495166
1-thiomorpholin-2-ylprop-2-en-1-amine
CID 66979199
N-heptan-4-ylthiomorpholin-2-amine
CID 173143895
ethyl thiomorpholin-2-yl carbonate
CID 70492337
2-(2-chloroethyl)thiomorpholine
CID 23117903
N-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide
CID 164653765
2-piperidin-2-ylthiomorpholine
CID 173064864
2-(2,4,6-trimethylphenyl)thiomorpholine
CID 82080150

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-thiomorpholin-2-ylmethanimidamide?
The IUPAC name of N-hydroxy-N'-thiomorpholin-2-ylmethanimidamide (CID 173463197) is N-hydroxy-N'-thiomorpholin-2-ylmethanimidamide.
What is the SMILES notation for N-hydroxy-N'-thiomorpholin-2-ylmethanimidamide?
The canonical SMILES for N-hydroxy-N'-thiomorpholin-2-ylmethanimidamide is ONC=NC1CNCCS1.
What is the InChIKey of N-hydroxy-N'-thiomorpholin-2-ylmethanimidamide?
The InChIKey is FHRSIXVCBFHLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3OS/c9-8-4-7-5-3-6-1-2-10-5/h4-6,9H,1-3H2,(H,7,8).
What are the key properties of N-hydroxy-N'-thiomorpholin-2-ylmethanimidamide?
N-hydroxy-N'-thiomorpholin-2-ylmethanimidamide has a molecular weight of 161.23 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-thiomorpholin-2-ylmethanimidamide is sourced from PubChem (CID 173463197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).