[(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine

C16H23ClN2OS — CID 105193247

IUPAC[(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESNNC(c1ccc(Cl)cc1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H23ClN2OS/c17-14-3-1-12(2-4-14)15(19-18)13-5-8-20-16(11-13)6-9-21-10-7-16/h1-4,13,15,19H,5-11,18H2
InChIKeyJMXXDSFVHAFBTE-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.54
Rot. Bonds3

About [(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine

[(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine (PubChem CID 105193247) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is [(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
PubChem CID105193247
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC Name[(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESNNC(c1ccc(Cl)cc1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H23ClN2OS/c17-14-3-1-12(2-4-14)15(19-18)13-5-8-20-16(11-13)6-9-21-10-7-16/h1-4,13,15,19H,5-11,18H2
InChIKeyJMXXDSFVHAFBTE-UHFFFAOYSA-N
XLogP3.54
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 53.54
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

[(4-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105193249
[(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105252653
[(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326001
[(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326042
[(3-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325887
[(3,4-difluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105197240
[(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326044
[1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine
CID 105254321
[(2,6-dimethyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107504849
[(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325971
[1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine
CID 105254675
1-(2-chlorofuran-3-yl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 106692730

Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The IUPAC name of [(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine (CID 105193247) is [(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The canonical SMILES for [(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine is NNC(c1ccc(Cl)cc1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of [(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The InChIKey is JMXXDSFVHAFBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c17-14-3-1-12(2-4-14)15(19-18)13-5-8-20-16(11-13)6-9-21-10-7-16/h1-4,13,15,19H,5-11,18H2.
What are the key properties of [(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
[(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine has a molecular weight of 326.89 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105193247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).