6-naphthalen-2-ylsulfanylhexan-3-amine

C16H21NS — CID 106808319

IUPAC6-naphthalen-2-ylsulfanylhexan-3-amine
SMILESCCC(N)CCCSc1ccc2ccccc2c1
InChIInChI=1S/C16H21NS/c1-2-15(17)8-5-11-18-16-10-9-13-6-3-4-7-14(13)12-16/h3-4,6-7,9-10,12,15H,2,5,8,11,17H2,1H3
InChIKeyHLXSFNUZQVCRQU-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.45
Rot. Bonds6

About 6-naphthalen-2-ylsulfanylhexan-3-amine

6-naphthalen-2-ylsulfanylhexan-3-amine (PubChem CID 106808319) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 6-naphthalen-2-ylsulfanylhexan-3-amine.

Molecular Properties

Compound Name6-naphthalen-2-ylsulfanylhexan-3-amine
PubChem CID106808319
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name6-naphthalen-2-ylsulfanylhexan-3-amine
SMILESCCC(N)CCCSc1ccc2ccccc2c1
InChIInChI=1S/C16H21NS/c1-2-15(17)8-5-11-18-16-10-9-13-6-3-4-7-14(13)12-16/h3-4,6-7,9-10,12,15H,2,5,8,11,17H2,1H3
InChIKeyHLXSFNUZQVCRQU-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-2-ylsulfanylpentan-3-amine
CID 153445073
6-(3,4-dimethylphenyl)sulfanylhexan-3-amine
CID 106808280
6-(2-methylphenyl)sulfanylhexan-3-amine
CID 106808325
6-(2-bromophenyl)sulfanylhexan-3-amine
CID 106808159
N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine
CID 64648285
2-(4-chlorobutylsulfanyl)naphthalene
CID 63501641
formic acid;2-propylsulfanylnaphthalene
CID 143073136
2,2-dimethyl-6-naphthalen-2-ylsulfanylhexan-1-amine
CID 106713307
2-amino-3-naphthalen-2-ylsulfanylpropan-1-ol
CID 64807456
2-(2-bromoethylsulfanyl)naphthalene
CID 43519120
2-hex-5-ynylsulfanylnaphthalene
CID 150332529
methyl 6-naphthalen-2-ylsulfanylhexanoate
CID 135366329

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-ylsulfanylhexan-3-amine?
The IUPAC name of 6-naphthalen-2-ylsulfanylhexan-3-amine (CID 106808319) is 6-naphthalen-2-ylsulfanylhexan-3-amine.
What is the SMILES notation for 6-naphthalen-2-ylsulfanylhexan-3-amine?
The canonical SMILES for 6-naphthalen-2-ylsulfanylhexan-3-amine is CCC(N)CCCSc1ccc2ccccc2c1.
What is the InChIKey of 6-naphthalen-2-ylsulfanylhexan-3-amine?
The InChIKey is HLXSFNUZQVCRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-2-15(17)8-5-11-18-16-10-9-13-6-3-4-7-14(13)12-16/h3-4,6-7,9-10,12,15H,2,5,8,11,17H2,1H3.
What are the key properties of 6-naphthalen-2-ylsulfanylhexan-3-amine?
6-naphthalen-2-ylsulfanylhexan-3-amine has a molecular weight of 259.42 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-ylsulfanylhexan-3-amine is sourced from PubChem (CID 106808319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).