3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide

C11H17N3OS — CID 66242468

IUPAC3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide
SMILESCC(CN)SCc1cccc(C(=O)NN)c1
InChIInChI=1S/C11H17N3OS/c1-8(6-12)16-7-9-3-2-4-10(5-9)11(15)14-13/h2-5,8H,6-7,12-13H2,1H3,(H,14,15)
InChIKeyYKZFCOCJEYMJST-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.87
Rot. Bonds5

About 3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide

3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide (PubChem CID 66242468) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide.

Molecular Properties

Compound Name3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide
PubChem CID66242468
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide
SMILESCC(CN)SCc1cccc(C(=O)NN)c1
InChIInChI=1S/C11H17N3OS/c1-8(6-12)16-7-9-3-2-4-10(5-9)11(15)14-13/h2-5,8H,6-7,12-13H2,1H3,(H,14,15)
InChIKeyYKZFCOCJEYMJST-UHFFFAOYSA-N
XLogP0.87
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.87
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

3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzohydrazide
CID 63581336
3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide
CID 115659478
3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
CID 55213516
3-(3-aminopropylsulfanylmethyl)benzohydrazide
CID 66219490
3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 63581632
3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
CID 63581182
3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide
CID 63572517
3-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573622
3-[(4-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 79148671
3-(diethylaminomethyl)benzohydrazide
CID 63571195
3-[2-(3-amino-2-methylpropyl)sulfanylethoxy]benzohydrazide
CID 66224722
3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide
CID 79515162

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide?
The IUPAC name of 3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide (CID 66242468) is 3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide.
What is the SMILES notation for 3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide?
The canonical SMILES for 3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide is CC(CN)SCc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide?
The InChIKey is YKZFCOCJEYMJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8(6-12)16-7-9-3-2-4-10(5-9)11(15)14-13/h2-5,8H,6-7,12-13H2,1H3,(H,14,15).
What are the key properties of 3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide?
3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide has a molecular weight of 239.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide is sourced from PubChem (CID 66242468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).