2-[2-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide

C15H25N3OS — CID 115465755

IUPAC2-[2-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide
SMILESCCN(CC)CCSCc1ccccc1CC(=O)NN
InChIInChI=1S/C15H25N3OS/c1-3-18(4-2)9-10-20-12-14-8-6-5-7-13(14)11-15(19)17-16/h5-8H,3-4,9-12,16H2,1-2H3,(H,17,19)
InChIKeyUDZAUYMUFVXHKD-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.79
Rot. Bonds9

About 2-[2-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide

2-[2-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide (PubChem CID 115465755) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-[2-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide
PubChem CID115465755
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-[2-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide
SMILESCCN(CC)CCSCc1ccccc1CC(=O)NN
InChIInChI=1S/C15H25N3OS/c1-3-18(4-2)9-10-20-12-14-8-6-5-7-13(14)11-15(19)17-16/h5-8H,3-4,9-12,16H2,1-2H3,(H,17,19)
InChIKeyUDZAUYMUFVXHKD-UHFFFAOYSA-N
XLogP1.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]acetohydrazide
CID 115465453
N,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine
CID 23621598
2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide
CID 115465400
2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide
CID 115465420
2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide
CID 69088444
2-[2-(diethylamino)ethylsulfanyl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 138396792
2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide
CID 106926255
2-[2-[[2-cyanoethyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 115465318
2-[2-(oxan-4-ylsulfanylmethyl)phenyl]acetohydrazide
CID 115465738
2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351648
methyl 2-[2-(2-hydroxyethylsulfanylmethyl)phenyl]acetate
CID 115460884
2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide
CID 115465721

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide (CID 115465755) is 2-[2-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide is CCN(CC)CCSCc1ccccc1CC(=O)NN.
What is the InChIKey of 2-[2-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide?
The InChIKey is UDZAUYMUFVXHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-3-18(4-2)9-10-20-12-14-8-6-5-7-13(14)11-15(19)17-16/h5-8H,3-4,9-12,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide?
2-[2-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide has a molecular weight of 295.45 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(diethylamino)ethylsulfanylmethyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).