[1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine

C16H23FN2S — CID 105236805

IUPAC[1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine
SMILESNNC(CSc1ccc(F)cc1)CC1CC2CCC1C2
InChIInChI=1S/C16H23FN2S/c17-14-3-5-16(6-4-14)20-10-15(19-18)9-13-8-11-1-2-12(13)7-11/h3-6,11-13,15,19H,1-2,7-10,18H2
InChIKeyQSBHQCKNIGFGPI-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.58
Rot. Bonds6

About [1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine

[1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine (PubChem CID 105236805) has the molecular formula C16H23FN2S and a molecular weight of 294.44 g/mol. Its IUPAC name is [1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine
PubChem CID105236805
Molecular FormulaC16H23FN2S
Molecular Weight294.44 g/mol
Exact Mass294.16
IUPAC Name[1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine
SMILESNNC(CSc1ccc(F)cc1)CC1CC2CCC1C2
InChIInChI=1S/C16H23FN2S/c17-14-3-5-16(6-4-14)20-10-15(19-18)9-13-8-11-1-2-12(13)7-11/h3-6,11-13,15,19H,1-2,7-10,18H2
InChIKeyQSBHQCKNIGFGPI-UHFFFAOYSA-N
XLogP3.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 79562228
[1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopropylpropan-2-yl]hydrazine
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[1-(2-bicyclo[2.2.1]heptanyl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212561
[2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105215533
[1-(2-bicyclo[2.2.1]heptanyl)-3-(oxan-2-yl)propan-2-yl]hydrazine
CID 105267587
[1-(2-bicyclo[2.2.1]heptanyl)-3-(furan-3-yl)propan-2-yl]hydrazine
CID 105331698
[1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-yl]hydrazine
CID 105207728
[1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105236653
[1-(2-bicyclo[2.2.1]heptanyl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105292666
[1-(2-bicyclo[2.2.1]heptanyl)-4-methylhexan-2-yl]hydrazine
CID 105298462
[1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-yl]hydrazine
CID 105236768
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of [1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine (CID 105236805) is [1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine is NNC(CSc1ccc(F)cc1)CC1CC2CCC1C2.
What is the InChIKey of [1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine?
The InChIKey is QSBHQCKNIGFGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2S/c17-14-3-5-16(6-4-14)20-10-15(19-18)9-13-8-11-1-2-12(13)7-11/h3-6,11-13,15,19H,1-2,7-10,18H2.
What are the key properties of [1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine?
[1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine has a molecular weight of 294.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bicyclo[2.2.1]heptanyl)-3-(4-fluorophenyl)sulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105236805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).