[4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine

C14H23N3O3S — CID 107327901

IUPAC[4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)N1CCOCC1(C)C
InChIInChI=1S/C14H23N3O3S/c1-10-7-12(16-15)8-11(2)13(10)21(18,19)17-5-6-20-9-14(17,3)4/h7-8,16H,5-6,9,15H2,1-4H3
InChIKeyXGDWGINUGFSQHY-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.39
Rot. Bonds3

About [4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine

[4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine (PubChem CID 107327901) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is [4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine.

Molecular Properties

Compound Name[4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine
PubChem CID107327901
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name[4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)N1CCOCC1(C)C
InChIInChI=1S/C14H23N3O3S/c1-10-7-12(16-15)8-11(2)13(10)21(18,19)17-5-6-20-9-14(17,3)4/h7-8,16H,5-6,9,15H2,1-4H3
InChIKeyXGDWGINUGFSQHY-UHFFFAOYSA-N
XLogP1.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylaniline
CID 79588769
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CID 106997855
4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine
CID 112507401
4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
CID 112507393
4-(3-bromothiophen-2-yl)sulfonyl-3,3-dimethylmorpholine
CID 61384239
3-amino-4-(3,3-dimethylmorpholin-4-yl)sulfonylbenzonitrile
CID 64899141
[4-(3,4-dimethylpiperidin-1-yl)sulfonyl-3,5-dimethylphenyl]hydrazine
CID 107328179
3,3-dimethyl-4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]morpholine
CID 154794697
2-bromo-3-chloro-5-(3,3-dimethylmorpholin-4-yl)sulfonyl-6-fluoroaniline
CID 103077399
N-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352549
5-bromo-4-(3,3-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
CID 62828667
5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine
CID 62158336

Frequently Asked Questions

What is the IUPAC name of [4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine?
The IUPAC name of [4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine (CID 107327901) is [4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine.
What is the SMILES notation for [4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine?
The canonical SMILES for [4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine is Cc1cc(NN)cc(C)c1S(=O)(=O)N1CCOCC1(C)C.
What is the InChIKey of [4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine?
The InChIKey is XGDWGINUGFSQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10-7-12(16-15)8-11(2)13(10)21(18,19)17-5-6-20-9-14(17,3)4/h7-8,16H,5-6,9,15H2,1-4H3.
What are the key properties of [4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine?
[4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine has a molecular weight of 313.42 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine is sourced from PubChem (CID 107327901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).