3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide

C13H21N3OS — CID 66227938

IUPAC3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide
SMILESCCC(N)CSCC(C(=O)NN)c1ccccc1
InChIInChI=1S/C13H21N3OS/c1-2-11(14)8-18-9-12(13(17)16-15)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9,14-15H2,1H3,(H,16,17)
InChIKeyIZWDYVOTAZJPGJ-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.23
Rot. Bonds7

About 3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide

3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide (PubChem CID 66227938) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide.

Molecular Properties

Compound Name3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide
PubChem CID66227938
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide
SMILESCCC(N)CSCC(C(=O)NN)c1ccccc1
InChIInChI=1S/C13H21N3OS/c1-2-11(14)8-18-9-12(13(17)16-15)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9,14-15H2,1H3,(H,16,17)
InChIKeyIZWDYVOTAZJPGJ-UHFFFAOYSA-N
XLogP1.23
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-(3-hydrazinyl-3-oxo-2-phenylpropyl)sulfanyl-N-methylacetamide
CID 114232081
3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide
CID 64560373
2-phenyl-3-pyridin-2-ylsulfanylpropanehydrazide
CID 64561520
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpropanehydrazide
CID 64560177
3-[methyl(2-methylbutyl)amino]-2-phenylpropanehydrazide
CID 64567890
(2-phenylbutanoylamino)urea
CID 63946462
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide
CID 64559984
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
CID 7811318
3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide
CID 64566245
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide
CID 64560562
3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide
CID 64558643
3-[ethyl(2-methylpropyl)amino]-2-phenylpropanehydrazide
CID 64565838

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide?
The IUPAC name of 3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide (CID 66227938) is 3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide.
What is the SMILES notation for 3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide?
The canonical SMILES for 3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide is CCC(N)CSCC(C(=O)NN)c1ccccc1.
What is the InChIKey of 3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide?
The InChIKey is IZWDYVOTAZJPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-11(14)8-18-9-12(13(17)16-15)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9,14-15H2,1H3,(H,16,17).
What are the key properties of 3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide?
3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide has a molecular weight of 267.40 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide is sourced from PubChem (CID 66227938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).