[1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine

C14H21FN2OS — CID 105236374

IUPAC[1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine
SMILESNNC(CSc1cccc(F)c1)CC1CCOCC1
InChIInChI=1S/C14H21FN2OS/c15-12-2-1-3-14(9-12)19-10-13(17-16)8-11-4-6-18-7-5-11/h1-3,9,11,13,17H,4-8,10,16H2
InChIKeyRMOFNJPHDIFKJX-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.57
Rot. Bonds6

About [1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine

[1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine (PubChem CID 105236374) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is [1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine
PubChem CID105236374
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name[1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine
SMILESNNC(CSc1cccc(F)c1)CC1CCOCC1
InChIInChI=1S/C14H21FN2OS/c15-12-2-1-3-14(9-12)19-10-13(17-16)8-11-4-6-18-7-5-11/h1-3,9,11,13,17H,4-8,10,16H2
InChIKeyRMOFNJPHDIFKJX-UHFFFAOYSA-N
XLogP2.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.57
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-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66073314
[2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine
CID 105238338
[4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine
CID 105236538
1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131637584
1-(3-fluorophenyl)sulfanylnonan-2-ylhydrazine
CID 105236394
[1-(3-fluorophenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266099
1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine
CID 105236361
[1-(2-fluorophenyl)-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105206863
1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine
CID 82932599
[1-(3,4-difluorophenyl)-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105298960
[1-(oxan-4-yl)-3-phenylpropan-2-yl]hydrazine
CID 105195157
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine (CID 105236374) is [1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine is NNC(CSc1cccc(F)c1)CC1CCOCC1.
What is the InChIKey of [1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine?
The InChIKey is RMOFNJPHDIFKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c15-12-2-1-3-14(9-12)19-10-13(17-16)8-11-4-6-18-7-5-11/h1-3,9,11,13,17H,4-8,10,16H2.
What are the key properties of [1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine?
[1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine has a molecular weight of 284.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105236374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).