(2R)-2-benzylsulfanylpropanehydrazide

C10H14N2OS — CID 28840047

IUPAC(2R)-2-benzylsulfanylpropanehydrazide
SMILESC[C@@H](SCc1ccccc1)C(=O)NN
InChIInChI=1S/C10H14N2OS/c1-8(10(13)12-11)14-7-9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyAYTXTIFXKYOPFC-MRVPVSSYSA-N
MW210.30 g/mol
LogP1.30
Rot. Bonds4

About (2R)-2-benzylsulfanylpropanehydrazide

(2R)-2-benzylsulfanylpropanehydrazide (PubChem CID 28840047) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is (2R)-2-benzylsulfanylpropanehydrazide.

Molecular Properties

Compound Name(2R)-2-benzylsulfanylpropanehydrazide
PubChem CID28840047
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name(2R)-2-benzylsulfanylpropanehydrazide
SMILESC[C@@H](SCc1ccccc1)C(=O)NN
InChIInChI=1S/C10H14N2OS/c1-8(10(13)12-11)14-7-9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyAYTXTIFXKYOPFC-MRVPVSSYSA-N
XLogP1.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-benzylsulfanyl-N-(methylcarbamoyl)propanamide
CID 16527785
3-(2-benzylsulfanylpropanoylamino)butanoic acid
CID 119221152
N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide
CID 119995886
2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 2943119
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]benzoic acid
CID 9349511
(2S)-2-benzylsulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 94020092
N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride
CID 119640354
(2S)-2-benzylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2647848
N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide
CID 119613585
(2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide
CID 7389232
2-benzyl-3-(2-benzylsulfanylpropanoylamino)propanoic acid
CID 119233768
propan-2-yl 2-(2-benzylsulfanylpropanoylamino)acetate
CID 71879043

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzylsulfanylpropanehydrazide?
The IUPAC name of (2R)-2-benzylsulfanylpropanehydrazide (CID 28840047) is (2R)-2-benzylsulfanylpropanehydrazide.
What is the SMILES notation for (2R)-2-benzylsulfanylpropanehydrazide?
The canonical SMILES for (2R)-2-benzylsulfanylpropanehydrazide is C[C@@H](SCc1ccccc1)C(=O)NN.
What is the InChIKey of (2R)-2-benzylsulfanylpropanehydrazide?
The InChIKey is AYTXTIFXKYOPFC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8(10(13)12-11)14-7-9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-benzylsulfanylpropanehydrazide?
(2R)-2-benzylsulfanylpropanehydrazide has a molecular weight of 210.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzylsulfanylpropanehydrazide is sourced from PubChem (CID 28840047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).