[1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine

C11H22N4O2S2 — CID 105291025

IUPAC[1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine
SMILESCC(C)(C)c1nnsc1C(CCCS(C)(=O)=O)NN
InChIInChI=1S/C11H22N4O2S2/c1-11(2,3)10-9(18-15-14-10)8(13-12)6-5-7-19(4,16)17/h8,13H,5-7,12H2,1-4H3
InChIKeyPWGBKWCDCCAFAC-UHFFFAOYSA-N
MW306.46 g/mol
LogP1.16
Rot. Bonds6

About [1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine

[1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine (PubChem CID 105291025) has the molecular formula C11H22N4O2S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is [1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine
PubChem CID105291025
Molecular FormulaC11H22N4O2S2
Molecular Weight306.46 g/mol
Exact Mass306.12
IUPAC Name[1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine
SMILESCC(C)(C)c1nnsc1C(CCCS(C)(=O)=O)NN
InChIInChI=1S/C11H22N4O2S2/c1-11(2,3)10-9(18-15-14-10)8(13-12)6-5-7-19(4,16)17/h8,13H,5-7,12H2,1-4H3
InChIKeyPWGBKWCDCCAFAC-UHFFFAOYSA-N
XLogP1.16
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 105113420
1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine
CID 105294114
[1-(4-tert-butylthiadiazol-5-yl)-4-methylpentyl]hydrazine
CID 105294316
1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine
CID 105289711
[3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine
CID 114985237
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
[1-(4-tert-butylthiadiazol-5-yl)-3-methylpentyl]hydrazine
CID 105298670
[1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105295607
4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105113497
1-(4-tert-butylthiadiazol-5-yl)ethylhydrazine
CID 105282656
[1-(4-tert-butylthiadiazol-5-yl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105287290
N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105112917

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine (CID 105291025) is [1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine is CC(C)(C)c1nnsc1C(CCCS(C)(=O)=O)NN.
What is the InChIKey of [1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine?
The InChIKey is PWGBKWCDCCAFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S2/c1-11(2,3)10-9(18-15-14-10)8(13-12)6-5-7-19(4,16)17/h8,13H,5-7,12H2,1-4H3.
What are the key properties of [1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine?
[1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine has a molecular weight of 306.46 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine is sourced from PubChem (CID 105291025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).