2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide

C11H16ClN3OS — CID 79527866

IUPAC2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide
SMILESCC(C)C(Sc1cc(Cl)ccc1N)C(=O)NN
InChIInChI=1S/C11H16ClN3OS/c1-6(2)10(11(16)15-14)17-9-5-7(12)3-4-8(9)13/h3-6,10H,13-14H2,1-2H3,(H,15,16)
InChIKeyYYQRYEXKFBZOOC-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.03
Rot. Bonds4

About 2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide

2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide (PubChem CID 79527866) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide
PubChem CID79527866
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide
SMILESCC(C)C(Sc1cc(Cl)ccc1N)C(=O)NN
InChIInChI=1S/C11H16ClN3OS/c1-6(2)10(11(16)15-14)17-9-5-7(12)3-4-8(9)13/h3-6,10H,13-14H2,1-2H3,(H,15,16)
InChIKeyYYQRYEXKFBZOOC-UHFFFAOYSA-N
XLogP2.03
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.03
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

2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide
CID 55215053
3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide
CID 63580962
2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide
CID 63581762
2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide
CID 79527884
2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide
CID 79528068
2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide
CID 63589205
2-(2,5-dichlorophenyl)sulfanylbutanehydrazide
CID 63582266
5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide
CID 79527950
4-chloro-2-(1-phenylethylsulfanyl)aniline
CID 79528407
N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
CID 61023322
4-chloro-2-methylsulfanylaniline;hydrochloride
CID 122360132
4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide
CID 79528043

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide?
The IUPAC name of 2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide (CID 79527866) is 2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide is CC(C)C(Sc1cc(Cl)ccc1N)C(=O)NN.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide?
The InChIKey is YYQRYEXKFBZOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-6(2)10(11(16)15-14)17-9-5-7(12)3-4-8(9)13/h3-6,10H,13-14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide?
2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide has a molecular weight of 273.79 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide is sourced from PubChem (CID 79527866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).