3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide

C11H17N3OS — CID 79631100

IUPAC3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide
SMILESCC(C)(CSc1cccc(N)c1)C(=O)NN
InChIInChI=1S/C11H17N3OS/c1-11(2,10(15)14-13)7-16-9-5-3-4-8(12)6-9/h3-6H,7,12-13H2,1-2H3,(H,14,15)
InChIKeyDOBNXWLSSFROGB-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.38
Rot. Bonds4

About 3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide

3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide (PubChem CID 79631100) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide
PubChem CID79631100
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide
SMILESCC(C)(CSc1cccc(N)c1)C(=O)NN
InChIInChI=1S/C11H17N3OS/c1-11(2,10(15)14-13)7-16-9-5-3-4-8(12)6-9/h3-6H,7,12-13H2,1-2H3,(H,14,15)
InChIKeyDOBNXWLSSFROGB-UHFFFAOYSA-N
XLogP1.38
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide
CID 79631389
3-(2-fluoro-2-methylpropyl)sulfanylaniline
CID 84669013
1-(3-aminophenyl)sulfanyl-2-phenylpropan-2-ol
CID 79134142
3-[(5-amino-2-pyridinyl)sulfanyl]-2,2-dimethylpropanehydrazide
CID 79630811
2-(3-aminophenyl)sulfanylacetamide
CID 19300065
2,2-dimethyl-3-[(3-methylphenyl)methylsulfanyl]propanehydrazide
CID 79631000
methyl N-[2-(3-aminophenyl)sulfanylacetyl]carbamate
CID 79133966
2-(3-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 79134421
3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide
CID 134120038
3-(3,3-difluorobutylsulfanyl)aniline
CID 84683028
2-(3-aminophenyl)sulfanyl-N-pentan-3-ylacetamide
CID 79134330
methyl 2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanoate
CID 79629435

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide (CID 79631100) is 3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide is CC(C)(CSc1cccc(N)c1)C(=O)NN.
What is the InChIKey of 3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide?
The InChIKey is DOBNXWLSSFROGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-11(2,10(15)14-13)7-16-9-5-3-4-8(12)6-9/h3-6H,7,12-13H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide?
3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide has a molecular weight of 239.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79631100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).