5-naphthalen-2-ylsulfanylpentanimidamide

C15H18N2S — CID 54965805

IUPAC5-naphthalen-2-ylsulfanylpentanimidamide
SMILES[H]/N=C(\N)CCCCSc1ccc2ccccc2c1
InChIInChI=1S/C15H18N2S/c16-15(17)7-3-4-10-18-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11H,3-4,7,10H2,(H3,16,17)
InChIKeyOKJQKCGCUWNSGS-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.04
Rot. Bonds6

About 5-naphthalen-2-ylsulfanylpentanimidamide

5-naphthalen-2-ylsulfanylpentanimidamide (PubChem CID 54965805) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 5-naphthalen-2-ylsulfanylpentanimidamide.

Molecular Properties

Compound Name5-naphthalen-2-ylsulfanylpentanimidamide
PubChem CID54965805
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name5-naphthalen-2-ylsulfanylpentanimidamide
SMILES[H]/N=C(\N)CCCCSc1ccc2ccccc2c1
InChIInChI=1S/C15H18N2S/c16-15(17)7-3-4-10-18-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11H,3-4,7,10H2,(H3,16,17)
InChIKeyOKJQKCGCUWNSGS-UHFFFAOYSA-N
XLogP4.04
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

5-naphthalen-2-ylsulfanylpentanehydrazide
CID 55213311
2-(4-chlorobutylsulfanyl)naphthalene
CID 63501641
2-hex-5-ynylsulfanylnaphthalene
CID 150332529
methyl 6-naphthalen-2-ylsulfanylhexanoate
CID 135366329
5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide
CID 54965649
3-(3-methylphenyl)sulfanylpropanimidamide
CID 61243250
4-(2-methylphenyl)sulfanylbutanimidamide
CID 60892007
2,2-dimethyl-6-naphthalen-2-ylsulfanylhexan-1-amine
CID 106713307
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide
CID 77063369
2-(2-bromoethylsulfanyl)naphthalene
CID 43519120
formic acid;2-propylsulfanylnaphthalene
CID 143073136
5-(2-methylfuran-3-yl)sulfanylpentanimidamide
CID 107780480

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-ylsulfanylpentanimidamide?
The IUPAC name of 5-naphthalen-2-ylsulfanylpentanimidamide (CID 54965805) is 5-naphthalen-2-ylsulfanylpentanimidamide.
What is the SMILES notation for 5-naphthalen-2-ylsulfanylpentanimidamide?
The canonical SMILES for 5-naphthalen-2-ylsulfanylpentanimidamide is [H]/N=C(\N)CCCCSc1ccc2ccccc2c1.
What is the InChIKey of 5-naphthalen-2-ylsulfanylpentanimidamide?
The InChIKey is OKJQKCGCUWNSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c16-15(17)7-3-4-10-18-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11H,3-4,7,10H2,(H3,16,17).
What are the key properties of 5-naphthalen-2-ylsulfanylpentanimidamide?
5-naphthalen-2-ylsulfanylpentanimidamide has a molecular weight of 258.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-ylsulfanylpentanimidamide is sourced from PubChem (CID 54965805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).