[(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine

C13H19BrN2O2S — CID 106860112

IUPAC[(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESNNC(c1ccoc1Br)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H19BrN2O2S/c14-12-10(2-4-17-12)11(16-15)9-1-5-18-13(7-9)3-6-19-8-13/h2,4,9,11,16H,1,3,5-8,15H2
InChIKeyFSQXQHFCOXJVEH-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.85
Rot. Bonds3

About [(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine

[(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine (PubChem CID 106860112) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is [(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
PubChem CID106860112
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name[(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESNNC(c1ccoc1Br)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H19BrN2O2S/c14-12-10(2-4-17-12)11(16-15)9-1-5-18-13(7-9)3-6-19-8-13/h2,4,9,11,16H,1,3,5-8,15H2
InChIKeyFSQXQHFCOXJVEH-UHFFFAOYSA-N
XLogP2.85
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105280900
N-[(2-bromofuran-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 106858272
[(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325971
[(2,6-dimethyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107504849
[(3-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325887
N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692724
[(5-fluoro-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105248353
(2-methylfuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 113453316
[(5-methylpyrazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325943
[6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine
CID 105254731
1-(5-bromothiophen-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79914771
[(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105193247

Frequently Asked Questions

What is the IUPAC name of [(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine?
The IUPAC name of [(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine (CID 106860112) is [(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine is NNC(c1ccoc1Br)C1CCOC2(CCSC2)C1.
What is the InChIKey of [(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine?
The InChIKey is FSQXQHFCOXJVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c14-12-10(2-4-17-12)11(16-15)9-1-5-18-13(7-9)3-6-19-8-13/h2,4,9,11,16H,1,3,5-8,15H2.
What are the key properties of [(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine?
[(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine has a molecular weight of 347.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine is sourced from PubChem (CID 106860112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).