2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide

C17H21NOS — CID 65259756

IUPAC2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide
SMILESCC(C)(CCCOc1ccc2ccccc2c1)C(N)=S
InChIInChI=1S/C17H21NOS/c1-17(2,16(18)20)10-5-11-19-15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12H,5,10-11H2,1-2H3,(H2,18,20)
InChIKeyOZBMBWSIDGZBAO-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.31
Rot. Bonds6

About 2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide

2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide (PubChem CID 65259756) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide.

Molecular Properties

Compound Name2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide
PubChem CID65259756
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide
SMILESCC(C)(CCCOc1ccc2ccccc2c1)C(N)=S
InChIInChI=1S/C17H21NOS/c1-17(2,16(18)20)10-5-11-19-15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12H,5,10-11H2,1-2H3,(H2,18,20)
InChIKeyOZBMBWSIDGZBAO-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
CID 77063288
5-(3-ethylphenoxy)-2,2-dimethylpentanethioamide
CID 65259910
5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanethioamide
CID 65257289
2-methyl-4-naphthalen-2-yloxybutan-2-amine
CID 10561404
2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid
CID 65248421
2,2-dimethyl-5-(2-methylphenoxy)pentanethioamide
CID 65259553
2-naphthalen-2-yloxyethanethioamide
CID 7454258
4-(4-tert-butylphenoxy)-2,2-dimethylbutanethioamide
CID 65247667
2-(7,7,7-trifluoroheptoxy)naphthalene
CID 134838643
2,2-dimethyl-4-(4-methylphenoxy)butanethioamide
CID 65248723
2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile
CID 106710365
4-(3-chloro-4-fluorophenoxy)-2,2-dimethylbutanethioamide
CID 65248120

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide?
The IUPAC name of 2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide (CID 65259756) is 2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide.
What is the SMILES notation for 2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide?
The canonical SMILES for 2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide is CC(C)(CCCOc1ccc2ccccc2c1)C(N)=S.
What is the InChIKey of 2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide?
The InChIKey is OZBMBWSIDGZBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-17(2,16(18)20)10-5-11-19-15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,12H,5,10-11H2,1-2H3,(H2,18,20).
What are the key properties of 2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide?
2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide has a molecular weight of 287.43 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide is sourced from PubChem (CID 65259756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).