2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide

C11H15ClN2OS — CID 9179466

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)CSCc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2OS/c1-14(2)13-11(15)8-16-7-9-4-3-5-10(12)6-9/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyNMZBPWVKNGKOJE-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.17
Rot. Bonds5

About 2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide

2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide (PubChem CID 9179466) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide
PubChem CID9179466
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)CSCc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2OS/c1-14(2)13-11(15)8-16-7-9-4-3-5-10(12)6-9/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyNMZBPWVKNGKOJE-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031428
2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide
CID 120831411
2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide
CID 103918794
N-butan-2-yl-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 60629254
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
4-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 43092004
2-[(3-chlorophenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 893713
2-[[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]-3-methylbutanoic acid
CID 65220680
N-(3-aminobutyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide;hydrochloride
CID 119495488
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447961
2-[(3-chlorophenyl)methylsulfanyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104858185
6-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 43238428

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide (CID 9179466) is 2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide is CN(C)NC(=O)CSCc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide?
The InChIKey is NMZBPWVKNGKOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-14(2)13-11(15)8-16-7-9-4-3-5-10(12)6-9/h3-6H,7-8H2,1-2H3,(H,13,15).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide?
2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide has a molecular weight of 258.77 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 9179466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).