[4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine

C15H25N3O2S — CID 107327752

IUPAC[4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)N1CCCCCCC1
InChIInChI=1S/C15H25N3O2S/c1-12-10-14(17-16)11-13(2)15(12)21(19,20)18-8-6-4-3-5-7-9-18/h10-11,17H,3-9,16H2,1-2H3
InChIKeyLWEVGYRQBMBUIT-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.54
Rot. Bonds3

About [4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine

[4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine (PubChem CID 107327752) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is [4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine.

Molecular Properties

Compound Name[4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine
PubChem CID107327752
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name[4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)N1CCCCCCC1
InChIInChI=1S/C15H25N3O2S/c1-12-10-14(17-16)11-13(2)15(12)21(19,20)18-8-6-4-3-5-7-9-18/h10-11,17H,3-9,16H2,1-2H3
InChIKeyLWEVGYRQBMBUIT-UHFFFAOYSA-N
XLogP2.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine
CID 107327782
[4-(3,4-dimethylpiperidin-1-yl)sulfonyl-3,5-dimethylphenyl]hydrazine
CID 107328179
1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
CID 47173260
[3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine
CID 107328129
N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 107328424
N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 107328906
(4-piperidin-1-ylsulfonylphenyl)hydrazine
CID 19351291
1-(3-bromo-2,4,6-trimethylphenyl)sulfonylazepane
CID 91670160
[4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylphenyl]hydrazine
CID 107327901
N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107328540
3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline
CID 107328597
azepan-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 27658984

Frequently Asked Questions

What is the IUPAC name of [4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine?
The IUPAC name of [4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine (CID 107327752) is [4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine.
What is the SMILES notation for [4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine?
The canonical SMILES for [4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine is Cc1cc(NN)cc(C)c1S(=O)(=O)N1CCCCCCC1.
What is the InChIKey of [4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine?
The InChIKey is LWEVGYRQBMBUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12-10-14(17-16)11-13(2)15(12)21(19,20)18-8-6-4-3-5-7-9-18/h10-11,17H,3-9,16H2,1-2H3.
What are the key properties of [4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine?
[4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine has a molecular weight of 311.45 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine is sourced from PubChem (CID 107327752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).