6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide

C12H18FN3OS — CID 79143496

IUPAC6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide
SMILESNNC(=O)CCCCCSc1cc(F)ccc1N
InChIInChI=1S/C12H18FN3OS/c13-9-5-6-10(14)11(8-9)18-7-3-1-2-4-12(17)16-15/h5-6,8H,1-4,7,14-15H2,(H,16,17)
InChIKeyQSJYFJTZZRQIDR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.05
Rot. Bonds7

About 6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide

6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide (PubChem CID 79143496) has the molecular formula C12H18FN3OS and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide.

Molecular Properties

Compound Name6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide
PubChem CID79143496
Molecular FormulaC12H18FN3OS
Molecular Weight271.36 g/mol
Exact Mass271.12
IUPAC Name6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide
SMILESNNC(=O)CCCCCSc1cc(F)ccc1N
InChIInChI=1S/C12H18FN3OS/c13-9-5-6-10(14)11(8-9)18-7-3-1-2-4-12(17)16-15/h5-6,8H,1-4,7,14-15H2,(H,16,17)
InChIKeyQSJYFJTZZRQIDR-UHFFFAOYSA-N
XLogP2.05
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2,5-difluorophenyl)sulfanylpentanehydrazide
CID 55215054
4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide
CID 63581095
5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide
CID 79527950
4-fluoro-2-nonylsulfanylaniline
CID 79147730
3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 79147919
ethyl 3-(2-amino-5-fluorophenyl)sulfanylpropanoate
CID 79147797
4-(4-fluorophenyl)sulfanylbutanehydrazide
CID 63580028
3-(2-amino-5-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 79147838
4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide
CID 79149650
2-(2-amino-5-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 79148601
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylacetamide
CID 79148805
methyl 4-(2-amino-5-fluorophenyl)sulfanyl-2-ethylbut-2-enoate
CID 79148673

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide?
The IUPAC name of 6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide (CID 79143496) is 6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide.
What is the SMILES notation for 6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide?
The canonical SMILES for 6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide is NNC(=O)CCCCCSc1cc(F)ccc1N.
What is the InChIKey of 6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide?
The InChIKey is QSJYFJTZZRQIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3OS/c13-9-5-6-10(14)11(8-9)18-7-3-1-2-4-12(17)16-15/h5-6,8H,1-4,7,14-15H2,(H,16,17).
What are the key properties of 6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide?
6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide has a molecular weight of 271.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide is sourced from PubChem (CID 79143496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).