N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide

C7H15N3OS — CID 77015831

IUPACN'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide
SMILESCC1CSCCN1CC(N)=NO
InChIInChI=1S/C7H15N3OS/c1-6-5-12-3-2-10(6)4-7(8)9-11/h6,11H,2-5H2,1H3,(H2,8,9)
InChIKeyAPXUYZYQQORAJO-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.17
Rot. Bonds2

About N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide

N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide (PubChem CID 77015831) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide
PubChem CID77015831
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC NameN'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide
SMILESCC1CSCCN1CC(N)=NO
InChIInChI=1S/C7H15N3OS/c1-6-5-12-3-2-10(6)4-7(8)9-11/h6,11H,2-5H2,1H3,(H2,8,9)
InChIKeyAPXUYZYQQORAJO-UHFFFAOYSA-N
XLogP0.17
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.17
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

N'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride
CID 57368865
N'-hydroxy-2-(3-methylthiomorpholin-4-yl)butanimidamide
CID 77015839
2,2-dimethyl-4-(3-methylthiomorpholin-4-yl)butanethioamide
CID 65248640
N'-hydroxy-4-methylthiomorpholine-3-carboximidamide
CID 103594659
N-tert-butyl-2-[(3-methylthiomorpholin-4-yl)methyl]prop-2-en-1-amine
CID 103070728
N'-hydroxy-2-[4-[(3R)-thiolan-3-yl]piperazin-1-yl]ethanimidamide
CID 129491117
1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine
CID 81170046
3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine
CID 131176317
N'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide
CID 77016248
N'-hydroxy-2-methyl-2-(3-methylthiomorpholine-4-carbonyl)butanimidamide
CID 114293022
2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide
CID 104874659
3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine
CID 126975144

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide (CID 77015831) is N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide is CC1CSCCN1CC(N)=NO.
What is the InChIKey of N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide?
The InChIKey is APXUYZYQQORAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS/c1-6-5-12-3-2-10(6)4-7(8)9-11/h6,11H,2-5H2,1H3,(H2,8,9).
What are the key properties of N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide?
N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide has a molecular weight of 189.28 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide is sourced from PubChem (CID 77015831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).