[2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine

C11H18FN3S — CID 105226545

IUPAC[2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
SMILESCC(C)(C)SCC(NN)c1cncc(F)c1
InChIInChI=1S/C11H18FN3S/c1-11(2,3)16-7-10(15-13)8-4-9(12)6-14-5-8/h4-6,10,15H,7,13H2,1-3H3
InChIKeyKDJYADZEGITCKV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.26
Rot. Bonds4

About [2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine

[2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine (PubChem CID 105226545) has the molecular formula C11H18FN3S and a molecular weight of 243.35 g/mol. Its IUPAC name is [2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
PubChem CID105226545
Molecular FormulaC11H18FN3S
Molecular Weight243.35 g/mol
Exact Mass243.12
IUPAC Name[2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
SMILESCC(C)(C)SCC(NN)c1cncc(F)c1
InChIInChI=1S/C11H18FN3S/c1-11(2,3)16-7-10(15-13)8-4-9(12)6-14-5-8/h4-6,10,15H,7,13H2,1-3H3
InChIKeyKDJYADZEGITCKV-UHFFFAOYSA-N
XLogP2.26
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.26
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

[2-(2-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105238198
[1-(5-fluoro-3-pyridinyl)-3-methoxypropyl]hydrazine
CID 105206466
(2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine
CID 105226474
N,N-diethyl-3-(5-fluoro-3-pyridinyl)-3-hydrazinylpropan-1-amine
CID 105244160
[2-tert-butylsulfanyl-1-(4-methylphenyl)ethyl]hydrazine
CID 105226359
[1-(5-fluoro-3-pyridinyl)-2-naphthalen-2-ylethyl]hydrazine
CID 105288112
[1-(5-fluoro-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066996
[2-(2,6-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105209818
1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine
CID 116757462
[2-(2-bromophenyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105214990
2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine
CID 116760662
[2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine
CID 107562353

Frequently Asked Questions

What is the IUPAC name of [2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine?
The IUPAC name of [2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine (CID 105226545) is [2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for [2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine?
The canonical SMILES for [2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine is CC(C)(C)SCC(NN)c1cncc(F)c1.
What is the InChIKey of [2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine?
The InChIKey is KDJYADZEGITCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3S/c1-11(2,3)16-7-10(15-13)8-4-9(12)6-14-5-8/h4-6,10,15H,7,13H2,1-3H3.
What are the key properties of [2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine?
[2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine has a molecular weight of 243.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 105226545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).