N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide

C10H21N3O4S — CID 106725380

IUPACN'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide
SMILESCC(C)S(=O)(=O)CCN1CCOC(C(N)=NO)C1
InChIInChI=1S/C10H21N3O4S/c1-8(2)18(15,16)6-4-13-3-5-17-9(7-13)10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyMSZNDCRGUDTAIW-UHFFFAOYSA-N
MW279.36 g/mol
LogP-0.74
Rot. Bonds5

About N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide

N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide (PubChem CID 106725380) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide
PubChem CID106725380
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC NameN'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide
SMILESCC(C)S(=O)(=O)CCN1CCOC(C(N)=NO)C1
InChIInChI=1S/C10H21N3O4S/c1-8(2)18(15,16)6-4-13-3-5-17-9(7-13)10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyMSZNDCRGUDTAIW-UHFFFAOYSA-N
XLogP-0.74
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.74
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-methylsulfonylethyl)morpholine-2-carboximidamide
CID 79681146
N'-hydroxy-4-(4-methylpentyl)morpholine-2-carboximidamide
CID 83158543
[4-(2-propan-2-ylsulfonylethyl)morpholin-2-yl]methanamine
CID 104920922
4-(2-cyclopropylethyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79680425
4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide
CID 82926320
4-(2-tert-butylsulfonylethyl)morpholine-2-carbothioamide
CID 106724887
(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide
CID 97045084
4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide
CID 79681296
(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol
CID 103738839
N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide
CID 79670529
1-(2-propan-2-ylsulfonylethyl)piperidine-3,4-dicarboxylic acid
CID 106727684
N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide
CID 79681239

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide (CID 106725380) is N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide is CC(C)S(=O)(=O)CCN1CCOC(C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide?
The InChIKey is MSZNDCRGUDTAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-8(2)18(15,16)6-4-13-3-5-17-9(7-13)10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide?
N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide has a molecular weight of 279.36 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-propan-2-ylsulfonylethyl)morpholine-2-carboximidamide is sourced from PubChem (CID 106725380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).