[1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine

C15H23ClN2OS — CID 105237683

IUPAC[1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
SMILESNNC(CCCC1CCCO1)CSc1ccccc1Cl
InChIInChI=1S/C15H23ClN2OS/c16-14-8-1-2-9-15(14)20-11-12(18-17)5-3-6-13-7-4-10-19-13/h1-2,8-9,12-13,18H,3-7,10-11,17H2
InChIKeyXMGGSDXHAMGKJN-UHFFFAOYSA-N
MW314.88 g/mol
LogP3.61
Rot. Bonds8

About [1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine

[1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine (PubChem CID 105237683) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is [1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
PubChem CID105237683
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name[1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
SMILESNNC(CCCC1CCCO1)CSc1ccccc1Cl
InChIInChI=1S/C15H23ClN2OS/c16-14-8-1-2-9-15(14)20-11-12(18-17)5-3-6-13-7-4-10-19-13/h1-2,8-9,12-13,18H,3-7,10-11,17H2
InChIKeyXMGGSDXHAMGKJN-UHFFFAOYSA-N
XLogP3.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
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

1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine
CID 66141385
[1-(oxolan-2-yl)-7-phenylheptan-4-yl]hydrazine
CID 105314154
[1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105210871
[1-ethylsulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105225409
[1-(2-chlorophenyl)sulfanyl-6-methylheptan-2-yl]hydrazine
CID 105237772
1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164845
[1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105236653
1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 66146011
1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164797
1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65162393
[1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314132
2-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-1-ol
CID 79455209

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine?
The IUPAC name of [1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine (CID 105237683) is [1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine is NNC(CCCC1CCCO1)CSc1ccccc1Cl.
What is the InChIKey of [1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine?
The InChIKey is XMGGSDXHAMGKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2OS/c16-14-8-1-2-9-15(14)20-11-12(18-17)5-3-6-13-7-4-10-19-13/h1-2,8-9,12-13,18H,3-7,10-11,17H2.
What are the key properties of [1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine?
[1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine has a molecular weight of 314.88 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine is sourced from PubChem (CID 105237683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).