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

C15H25N3O2S — CID 107328129

IUPAC[3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine
SMILESCCCC1CCN(S(=O)(=O)c2c(C)cc(NN)cc2C)C1
InChIInChI=1S/C15H25N3O2S/c1-4-5-13-6-7-18(10-13)21(19,20)15-11(2)8-14(17-16)9-12(15)3/h8-9,13,17H,4-7,10,16H2,1-3H3
InChIKeyAVLXTINYEJEFAS-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.40
Rot. Bonds5

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

[3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine (PubChem CID 107328129) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is [3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine.

Molecular Properties

Compound Name[3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine
PubChem CID107328129
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name[3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine
SMILESCCCC1CCN(S(=O)(=O)c2c(C)cc(NN)cc2C)C1
InChIInChI=1S/C15H25N3O2S/c1-4-5-13-6-7-18(10-13)21(19,20)15-11(2)8-14(17-16)9-12(15)3/h8-9,13,17H,4-7,10,16H2,1-3H3
InChIKeyAVLXTINYEJEFAS-UHFFFAOYSA-N
XLogP2.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.40
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

[4-(3,4-dimethylpiperidin-1-yl)sulfonyl-3,5-dimethylphenyl]hydrazine
CID 107328179
3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline
CID 103171753
[3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine
CID 107327782
[4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine
CID 107327752
3-methyl-4-(3-propylpyrrolidin-1-yl)sulfonylbenzenecarbothioamide
CID 106998511
4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 113418711
N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107328540
N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990592
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine
CID 63421045
1-(2-bromo-4-fluorophenyl)sulfonyl-3-propylpyrrolidine
CID 112695935
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119961271
N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 107327941

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine?
The IUPAC name of [3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine (CID 107328129) is [3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine.
What is the SMILES notation for [3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine?
The canonical SMILES for [3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine is CCCC1CCN(S(=O)(=O)c2c(C)cc(NN)cc2C)C1.
What is the InChIKey of [3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine?
The InChIKey is AVLXTINYEJEFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-5-13-6-7-18(10-13)21(19,20)15-11(2)8-14(17-16)9-12(15)3/h8-9,13,17H,4-7,10,16H2,1-3H3.
What are the key properties of [3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine?
[3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine has a molecular weight of 311.45 g/mol, XLogP of 2.40, 5 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-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine is sourced from PubChem (CID 107328129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).