[2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine

C16H23ClN2OS — CID 105238010

IUPAC[2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
SMILESNNC(CSc1cccc(Cl)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H23ClN2OS/c17-13-3-1-4-14(9-13)21-11-15(19-18)12-5-8-20-16(10-12)6-2-7-16/h1,3-4,9,12,15,19H,2,5-8,10-11,18H2
InChIKeyMMKUFOYPRFGJSX-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.61
Rot. Bonds5

About [2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine

[2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine (PubChem CID 105238010) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is [2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
PubChem CID105238010
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC Name[2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
SMILESNNC(CSc1cccc(Cl)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H23ClN2OS/c17-13-3-1-4-14(9-13)21-11-15(19-18)12-5-8-20-16(10-12)6-2-7-16/h1,3-4,9,12,15,19H,2,5-8,10-11,18H2
InChIKeyMMKUFOYPRFGJSX-UHFFFAOYSA-N
XLogP3.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 53.61
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-(2,6-dichlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105209863
[2-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105197807
[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105226279
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylsulfanylethanamine
CID 79911685
[2-(2-methylpropylsulfanyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105226976
[1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylpropyl]hydrazine
CID 105205823
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
[2-(2,3-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105322187
[2-(3-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105204873
2-(3-chlorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79909435
[2-cycloheptyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105322163
2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82931115

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine (CID 105238010) is [2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine is NNC(CSc1cccc(Cl)c1)C1CCOC2(CCC2)C1.
What is the InChIKey of [2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine?
The InChIKey is MMKUFOYPRFGJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c17-13-3-1-4-14(9-13)21-11-15(19-18)12-5-8-20-16(10-12)6-2-7-16/h1,3-4,9,12,15,19H,2,5-8,10-11,18H2.
What are the key properties of [2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine?
[2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine has a molecular weight of 326.89 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine is sourced from PubChem (CID 105238010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).