N'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride

C6H15Cl2N3OS — CID 57368865

IUPACN'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride
SMILESCl.Cl.NC(CN1CCSCC1)=NO
InChIInChI=1S/C6H13N3OS.2ClH/c7-6(8-10)5-9-1-3-11-4-2-9;;/h10H,1-5H2,(H2,7,8);2*1H
InChIKeyPGJMXXBFPQSAAV-UHFFFAOYSA-N
MW248.18 g/mol
LogP0.63
Rot. Bonds2

About N'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride

N'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride (PubChem CID 57368865) has the molecular formula C6H15Cl2N3OS and a molecular weight of 248.18 g/mol. Its IUPAC name is N'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride.

Molecular Properties

Compound NameN'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride
PubChem CID57368865
Molecular FormulaC6H15Cl2N3OS
Molecular Weight248.18 g/mol
Exact Mass247.03
IUPAC NameN'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride
SMILESCl.Cl.NC(CN1CCSCC1)=NO
InChIInChI=1S/C6H13N3OS.2ClH/c7-6(8-10)5-9-1-3-11-4-2-9;;/h10H,1-5H2,(H2,7,8);2*1H
InChIKeyPGJMXXBFPQSAAV-UHFFFAOYSA-N
XLogP0.63
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 50.63
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

2-(4-ethylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 74312988
N'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide
CID 129491117
N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide
CID 77015831
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide
CID 43581531
2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide
CID 104874659
2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 82926646
2-(4-cyclobutylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 121201830
2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide
CID 106327282
2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide
CID 129496379
2-[(3S)-3-fluoropyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129494574
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77064349
N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide
CID 57368864

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride?
The IUPAC name of N'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride (CID 57368865) is N'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride.
What is the SMILES notation for N'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride?
The canonical SMILES for N'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride is Cl.Cl.NC(CN1CCSCC1)=NO.
What is the InChIKey of N'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride?
The InChIKey is PGJMXXBFPQSAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3OS.2ClH/c7-6(8-10)5-9-1-3-11-4-2-9;;/h10H,1-5H2,(H2,7,8);2*1H.
What are the key properties of N'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride?
N'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride has a molecular weight of 248.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride is sourced from PubChem (CID 57368865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).