[2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine

C14H22N2OS — CID 105227304

IUPAC[2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
SMILESCCC(C)SCC(NN)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H22N2OS/c1-3-10(2)18-9-13(16-15)11-4-5-14-12(8-11)6-7-17-14/h4-5,8,10,13,16H,3,6-7,9,15H2,1-2H3
InChIKeySHYZPTMEIKYEFP-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.66
Rot. Bonds6

About [2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine

[2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine (PubChem CID 105227304) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
PubChem CID105227304
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
SMILESCCC(C)SCC(NN)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H22N2OS/c1-3-10(2)18-9-13(16-15)11-4-5-14-12(8-11)6-7-17-14/h4-5,8,10,13,16H,3,6-7,9,15H2,1-2H3
InChIKeySHYZPTMEIKYEFP-UHFFFAOYSA-N
XLogP2.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.66
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

[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
CID 105226954
1-(2,3-dihydro-1-benzofuran-5-yl)decylhydrazine
CID 105293354
1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine
CID 105290659
2-butan-2-ylsulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylethanamine
CID 64613831
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716082
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine
CID 105334999
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2,3-dimethylbutan-1-amine
CID 64568486
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449

Frequently Asked Questions

What is the IUPAC name of [2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine?
The IUPAC name of [2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine (CID 105227304) is [2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine?
The canonical SMILES for [2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine is CCC(C)SCC(NN)c1ccc2c(c1)CCO2.
What is the InChIKey of [2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine?
The InChIKey is SHYZPTMEIKYEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-10(2)18-9-13(16-15)11-4-5-14-12(8-11)6-7-17-14/h4-5,8,10,13,16H,3,6-7,9,15H2,1-2H3.
What are the key properties of [2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine?
[2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine has a molecular weight of 266.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105227304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).