N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide

C8H17N3O4S — CID 79681146

IUPACN'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide
SMILESCS(=O)(=O)CCN1CCOC(C(N)=NO)C1
InChIInChI=1S/C8H17N3O4S/c1-16(13,14)5-3-11-2-4-15-7(6-11)8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyNTMYERUPYIVYCQ-UHFFFAOYSA-N
MW251.31 g/mol
LogP-1.52
Rot. Bonds4

About N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide

N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide (PubChem CID 79681146) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide
PubChem CID79681146
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC NameN'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide
SMILESCS(=O)(=O)CCN1CCOC(C(N)=NO)C1
InChIInChI=1S/C8H17N3O4S/c1-16(13,14)5-3-11-2-4-15-7(6-11)8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyNTMYERUPYIVYCQ-UHFFFAOYSA-N
XLogP-1.52
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide
CID 106725380
N'-hydroxy-4-(4-methylpentyl)morpholine-2-carboximidamide
CID 83158543
4-(2-cyclopropylethyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79680425
(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide
CID 97045084
4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide
CID 82926320
4-(2-tert-butylsulfonylethyl)morpholine-2-carbothioamide
CID 106724887
N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide
CID 79670529
N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide
CID 79681239
4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide
CID 79681296
N'-hydroxy-4-propanoylmorpholine-2-carboximidamide
CID 79680714
(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
CID 51530238
4-butanoyl-N'-hydroxymorpholine-2-carboximidamide
CID 79680443

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide (CID 79681146) is N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide is CS(=O)(=O)CCN1CCOC(C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide?
The InChIKey is NTMYERUPYIVYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S/c1-16(13,14)5-3-11-2-4-15-7(6-11)8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide?
N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide has a molecular weight of 251.31 g/mol, XLogP of -1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79681146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).