N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide

C14H22N2OS — CID 116847805

IUPACN',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide
SMILESCSc1ccc(CCCCC(=O)NN(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-16(2)15-14(17)7-5-4-6-12-8-10-13(18-3)11-9-12/h8-11H,4-7H2,1-3H3,(H,15,17)
InChIKeyQSZBHUHDBHXANF-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.71
Rot. Bonds7

About N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide

N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide (PubChem CID 116847805) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide
PubChem CID116847805
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide
SMILESCSc1ccc(CCCCC(=O)NN(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-16(2)15-14(17)7-5-4-6-12-8-10-13(18-3)11-9-12/h8-11H,4-7H2,1-3H3,(H,15,17)
InChIKeyQSZBHUHDBHXANF-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethylphenyl)-N',N'-dimethylpentanehydrazide
CID 116847774
N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide
CID 116847673
N',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide
CID 116847692
5-(2,3-dihydro-1H-inden-5-yl)-N',N'-dimethylpentanehydrazide
CID 116847788
4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide
CID 116847682
N-hydroxy-3-(4-methylsulfanylphenyl)propanamide
CID 59191041
5-(4-methylsulfanylphenyl)pentanal
CID 98014049
N',N'-dimethyl-5-(2,4,6-trimethylphenyl)pentanehydrazide
CID 116847795
5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide
CID 116847827
N',N'-dimethyl-5-(5-methylfuran-2-yl)pentanehydrazide
CID 116847821
4-(4-methylsulfanylphenyl)butan-1-amine
CID 10559771
N',N'-dimethyl-2-(4-propylphenyl)acetohydrazide
CID 116847421

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide?
The IUPAC name of N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide (CID 116847805) is N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide.
What is the SMILES notation for N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide?
The canonical SMILES for N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide is CSc1ccc(CCCCC(=O)NN(C)C)cc1.
What is the InChIKey of N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide?
The InChIKey is QSZBHUHDBHXANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-16(2)15-14(17)7-5-4-6-12-8-10-13(18-3)11-9-12/h8-11H,4-7H2,1-3H3,(H,15,17).
What are the key properties of N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide?
N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide has a molecular weight of 266.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide is sourced from PubChem (CID 116847805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).