3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide

C12H19N3OS — CID 116849699

IUPAC3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide
SMILESCCSc1ccc(C(N)CC(=O)NNC)cc1
InChIInChI=1S/C12H19N3OS/c1-3-17-10-6-4-9(5-7-10)11(13)8-12(16)15-14-2/h4-7,11,14H,3,8,13H2,1-2H3,(H,15,16)
InChIKeyAIKYJLOYLDPOGD-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.44
Rot. Bonds6

About 3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide

3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide (PubChem CID 116849699) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide.

Molecular Properties

Compound Name3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide
PubChem CID116849699
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide
SMILESCCSc1ccc(C(N)CC(=O)NNC)cc1
InChIInChI=1S/C12H19N3OS/c1-3-17-10-6-4-9(5-7-10)11(13)8-12(16)15-14-2/h4-7,11,14H,3,8,13H2,1-2H3,(H,15,16)
InChIKeyAIKYJLOYLDPOGD-UHFFFAOYSA-N
XLogP1.44
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-(4-chlorophenyl)-N'-methylpropanehydrazide
CID 116849632
2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide
CID 116846235
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
methyl 2-[amino-(4-ethylsulfanylphenyl)methyl]butanoate
CID 116946012
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
4-(4-ethylsulfanylphenyl)-4-(methylamino)butan-2-one
CID 116956055
methyl 3-amino-3-(4-ethylsulfanylphenyl)-2,2-dimethylpropanoate
CID 116940309
3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116849694
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
2-(4-ethylsulfanylphenyl)-2-(methylamino)acetic acid
CID 82473470
4-amino-4-(4-ethylsulfanylphenyl)-3-methylbutanoic acid
CID 116938199
2-[4-(1-aminopropyl)phenyl]sulfanyl-N-ethylacetamide
CID 114233854

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide?
The IUPAC name of 3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide (CID 116849699) is 3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide.
What is the SMILES notation for 3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide?
The canonical SMILES for 3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide is CCSc1ccc(C(N)CC(=O)NNC)cc1.
What is the InChIKey of 3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide?
The InChIKey is AIKYJLOYLDPOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-17-10-6-4-9(5-7-10)11(13)8-12(16)15-14-2/h4-7,11,14H,3,8,13H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide?
3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide has a molecular weight of 253.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-ethylsulfanylphenyl)-N'-methylpropanehydrazide is sourced from PubChem (CID 116849699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).