4-(4-propylphenyl)sulfonylmorpholine-2-carboximidamide

C14H21N3O3S — CID 79671137

IUPAC4-(4-propylphenyl)sulfonylmorpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(S(=O)(=O)c2ccc(CCC)cc2)CCO1
InChIInChI=1S/C14H21N3O3S/c1-2-3-11-4-6-12(7-5-11)21(18,19)17-8-9-20-13(10-17)14(15)16/h4-7,13H,2-3,8-10H2,1H3,(H3,15,16)
InChIKeyXVUKQMDOOWYQKO-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.96
Rot. Bonds5

About 4-(4-propylphenyl)sulfonylmorpholine-2-carboximidamide

4-(4-propylphenyl)sulfonylmorpholine-2-carboximidamide (PubChem CID 79671137) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-(4-propylphenyl)sulfonylmorpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(4-propylphenyl)sulfonylmorpholine-2-carboximidamide
PubChem CID79671137
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-(4-propylphenyl)sulfonylmorpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(S(=O)(=O)c2ccc(CCC)cc2)CCO1
InChIInChI=1S/C14H21N3O3S/c1-2-3-11-4-6-12(7-5-11)21(18,19)17-8-9-20-13(10-17)14(15)16/h4-7,13H,2-3,8-10H2,1H3,(H3,15,16)
InChIKeyXVUKQMDOOWYQKO-UHFFFAOYSA-N
XLogP0.96
TPSA96.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.96
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'}

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Related Compounds

4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide
CID 79676830
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
3-chloro-1-(4-propylphenyl)sulfonylpyrrolidine
CID 63400652
[(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26776175
(2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine
CID 99827489
4-[4-(2-bromoethyl)phenyl]sulfonyl-2-methylmorpholine
CID 110313837
3-bromo-1-(4-propylphenyl)sulfonylpiperidine
CID 80676471
4-methylmorpholine-2-carboximidamide
CID 75481075
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
acetic acid;4-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 162315952
4-(benzenesulfonyl)morpholine-2-carbothioamide
CID 79674762
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenyl)sulfonylmorpholine-2-carboximidamide?
The IUPAC name of 4-(4-propylphenyl)sulfonylmorpholine-2-carboximidamide (CID 79671137) is 4-(4-propylphenyl)sulfonylmorpholine-2-carboximidamide.
What is the SMILES notation for 4-(4-propylphenyl)sulfonylmorpholine-2-carboximidamide?
The canonical SMILES for 4-(4-propylphenyl)sulfonylmorpholine-2-carboximidamide is [H]/N=C(\N)C1CN(S(=O)(=O)c2ccc(CCC)cc2)CCO1.
What is the InChIKey of 4-(4-propylphenyl)sulfonylmorpholine-2-carboximidamide?
The InChIKey is XVUKQMDOOWYQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-3-11-4-6-12(7-5-11)21(18,19)17-8-9-20-13(10-17)14(15)16/h4-7,13H,2-3,8-10H2,1H3,(H3,15,16).
What are the key properties of 4-(4-propylphenyl)sulfonylmorpholine-2-carboximidamide?
4-(4-propylphenyl)sulfonylmorpholine-2-carboximidamide has a molecular weight of 311.41 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenyl)sulfonylmorpholine-2-carboximidamide is sourced from PubChem (CID 79671137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).