[3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine

C14H23N3O2S — CID 107327782

IUPAC[3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C14H23N3O2S/c1-10-5-4-6-17(9-10)20(18,19)14-11(2)7-13(16-15)8-12(14)3/h7-8,10,16H,4-6,9,15H2,1-3H3
InChIKeyNJPFBHVXFMVDAN-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.01
Rot. Bonds3

About [3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine

[3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine (PubChem CID 107327782) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is [3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine.

Molecular Properties

Compound Name[3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine
PubChem CID107327782
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name[3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C14H23N3O2S/c1-10-5-4-6-17(9-10)20(18,19)14-11(2)7-13(16-15)8-12(14)3/h7-8,10,16H,4-6,9,15H2,1-3H3
InChIKeyNJPFBHVXFMVDAN-UHFFFAOYSA-N
XLogP2.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.01
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

N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107328540
[4-(3,4-dimethylpiperidin-1-yl)sulfonyl-3,5-dimethylphenyl]hydrazine
CID 107328179
[4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine
CID 107327752
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 47173276
[3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine
CID 107328129
6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107325512
3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43257079
[3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine
CID 60988900
2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43109484
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119961271
4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 102747498
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine?
The IUPAC name of [3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine (CID 107327782) is [3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine.
What is the SMILES notation for [3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine?
The canonical SMILES for [3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine is Cc1cc(NN)cc(C)c1S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of [3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine?
The InChIKey is NJPFBHVXFMVDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-5-4-6-17(9-10)20(18,19)14-11(2)7-13(16-15)8-12(14)3/h7-8,10,16H,4-6,9,15H2,1-3H3.
What are the key properties of [3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine?
[3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine has a molecular weight of 297.42 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine is sourced from PubChem (CID 107327782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).