[2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine

C11H22N2OS — CID 102649995

IUPAC[2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine
SMILESCC(C)(C)SCC(NN)C1=CCCCO1
InChIInChI=1S/C11H22N2OS/c1-11(2,3)15-8-9(13-12)10-6-4-5-7-14-10/h6,9,13H,4-5,7-8,12H2,1-3H3
InChIKeyFITPHMQILIZFMN-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.04
Rot. Bonds4

About [2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine

[2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine (PubChem CID 102649995) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is [2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine
PubChem CID102649995
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name[2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine
SMILESCC(C)(C)SCC(NN)C1=CCCCO1
InChIInChI=1S/C11H22N2OS/c1-11(2,3)15-8-9(13-12)10-6-4-5-7-14-10/h6,9,13H,4-5,7-8,12H2,1-3H3
InChIKeyFITPHMQILIZFMN-UHFFFAOYSA-N
XLogP2.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.04
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-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647524
[1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethyl]hydrazine
CID 102649993
[1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylpropyl]hydrazine
CID 102650063
[1-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentyl]hydrazine
CID 102650409
[1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxybutyl]hydrazine
CID 102650137
[1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-ylpropyl]hydrazine
CID 102650042
[1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxy-3-methylbutyl]hydrazine
CID 102650227
[1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropyl]hydrazine
CID 102650337
[3,4-dihydro-2H-pyran-6-yl-(1-ethylcyclopentyl)methyl]hydrazine
CID 102650304
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
CID 102647204
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine
CID 102648095
[1-(3,4-dihydro-2H-pyran-6-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 102649950

Frequently Asked Questions

What is the IUPAC name of [2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine?
The IUPAC name of [2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine (CID 102649995) is [2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine.
What is the SMILES notation for [2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine?
The canonical SMILES for [2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine is CC(C)(C)SCC(NN)C1=CCCCO1.
What is the InChIKey of [2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine?
The InChIKey is FITPHMQILIZFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-11(2,3)15-8-9(13-12)10-6-4-5-7-14-10/h6,9,13H,4-5,7-8,12H2,1-3H3.
What are the key properties of [2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine?
[2-tert-butylsulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine has a molecular weight of 230.38 g/mol, XLogP of 2.04, 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-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine is sourced from PubChem (CID 102649995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).