3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide

C12H19N3O2S — CID 79830633

IUPAC3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide
SMILESCOc1cc(N)ccc1SC(C)C(C)C(=O)NN
InChIInChI=1S/C12H19N3O2S/c1-7(12(16)15-14)8(2)18-11-5-4-9(13)6-10(11)17-3/h4-8H,13-14H2,1-3H3,(H,15,16)
InChIKeyDGLGOLLRZSRKNE-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.38
Rot. Bonds5

About 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide

3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide (PubChem CID 79830633) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide
PubChem CID79830633
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide
SMILESCOc1cc(N)ccc1SC(C)C(C)C(=O)NN
InChIInChI=1S/C12H19N3O2S/c1-7(12(16)15-14)8(2)18-11-5-4-9(13)6-10(11)17-3/h4-8H,13-14H2,1-3H3,(H,15,16)
InChIKeyDGLGOLLRZSRKNE-UHFFFAOYSA-N
XLogP1.38
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-(4-amino-2-methoxyphenyl)sulfanylpropanamide
CID 79822587
2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 79829742
3-(2-amino-4-bromophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405899
5-[1-(4-amino-2-methoxyphenyl)sulfanylethyl]furan-2-carboxylic acid
CID 79829982
N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 43104129
3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide
CID 79829901
2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 79830536
propan-2-yl 2-(4-amino-2-methoxyphenyl)sulfanylacetate
CID 79823041
2-[2-[(4-amino-2-methoxyphenyl)sulfanylmethyl]phenyl]acetic acid
CID 115461036
2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 79830616
2-(4-amino-2-methoxyphenyl)propanoic acid
CID 141079881
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide?
The IUPAC name of 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide (CID 79830633) is 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide.
What is the SMILES notation for 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide?
The canonical SMILES for 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide is COc1cc(N)ccc1SC(C)C(C)C(=O)NN.
What is the InChIKey of 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide?
The InChIKey is DGLGOLLRZSRKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7(12(16)15-14)8(2)18-11-5-4-9(13)6-10(11)17-3/h4-8H,13-14H2,1-3H3,(H,15,16).
What are the key properties of 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide?
3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide has a molecular weight of 269.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylbutanehydrazide is sourced from PubChem (CID 79830633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).