N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide

C17H22N2OS — CID 77063369

IUPACN'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide
SMILESCC(C)(CCCSc1ccc2ccccc2c1)C(N)=NO
InChIInChI=1S/C17H22N2OS/c1-17(2,16(18)19-20)10-5-11-21-15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12,20H,5,10-11H2,1-2H3,(H2,18,19)
InChIKeyDRVVMQCREZYATO-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.48
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide

N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide (PubChem CID 77063369) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide
PubChem CID77063369
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide
SMILESCC(C)(CCCSc1ccc2ccccc2c1)C(N)=NO
InChIInChI=1S/C17H22N2OS/c1-17(2,16(18)19-20)10-5-11-21-15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12,20H,5,10-11H2,1-2H3,(H2,18,19)
InChIKeyDRVVMQCREZYATO-UHFFFAOYSA-N
XLogP4.48
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide
CID 77063342
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
CID 77063288
2,2-dimethyl-6-naphthalen-2-ylsulfanylhexan-1-amine
CID 106713307
N'-hydroxy-2,2-dimethyl-5-pyrimidin-2-ylsulfanylpentanimidamide
CID 77063459
5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063344
N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 77063290
N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide
CID 77063242
N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide
CID 77064204
6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106712686
4-(2-chlorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062349
5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063291
5-naphthalen-2-ylsulfanylpentanimidamide
CID 54965805

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide (CID 77063369) is N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide is CC(C)(CCCSc1ccc2ccccc2c1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide?
The InChIKey is DRVVMQCREZYATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-17(2,16(18)19-20)10-5-11-21-15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12,20H,5,10-11H2,1-2H3,(H2,18,19).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide?
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide has a molecular weight of 302.44 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide is sourced from PubChem (CID 77063369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).