N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide

C10H21N3O3S — CID 111752152

IUPACN'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide
SMILESCC(C)(C/N=C(\N)N1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C10H21N3O3S/c1-10(2,17(3,14)15)8-12-9(11)13-4-6-16-7-5-13/h4-8H2,1-3H3,(H2,11,12)
InChIKeyUWNIRIQPNKPFTF-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.54
Rot. Bonds3

About N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide

N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide (PubChem CID 111752152) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide
PubChem CID111752152
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide
SMILESCC(C)(C/N=C(\N)N1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C10H21N3O3S/c1-10(2,17(3,14)15)8-12-9(11)13-4-6-16-7-5-13/h4-8H2,1-3H3,(H2,11,12)
InChIKeyUWNIRIQPNKPFTF-UHFFFAOYSA-N
XLogP-0.54
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-N'-(2-methyl-2-methylsulfonylpropyl)piperazine-1-carboximidamide
CID 111752144
2-(2-methyl-2-methylsulfonylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111752129
N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide
CID 111100374
N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120973772
N'-(2-methoxy-3,3-dimethylbutyl)morpholine-4-carboximidamide
CID 111757981
tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide
CID 119146780
N'-[2-(4-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111070095
N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide
CID 111859849
N'-(2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
CID 111055185
N'-ethyl-1,4-oxazepane-4-carboximidamide
CID 62972618
2-[[amino(morpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111819646
N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide
CID 111088020

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide (CID 111752152) is N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide is CC(C)(C/N=C(\N)N1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide?
The InChIKey is UWNIRIQPNKPFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-10(2,17(3,14)15)8-12-9(11)13-4-6-16-7-5-13/h4-8H2,1-3H3,(H2,11,12).
What are the key properties of N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide?
N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide has a molecular weight of 263.36 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide is sourced from PubChem (CID 111752152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).