7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol

C18H28N2O4S — CID 23385799

IUPAC7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol
SMILESNCCCCCCCCNc1ccc2cc(S(O)(O)O)cc(O)c2c1
InChIInChI=1S/C18H28N2O4S/c19-9-5-3-1-2-4-6-10-20-15-8-7-14-11-16(25(22,23)24)13-18(21)17(14)12-15/h7-8,11-13,20-24H,1-6,9-10,19H2
InChIKeyLINYCMSJAVHQQL-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.84
Rot. Bonds10

About 7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol

7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol (PubChem CID 23385799) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol.

Molecular Properties

Compound Name7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol
PubChem CID23385799
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol
SMILESNCCCCCCCCNc1ccc2cc(S(O)(O)O)cc(O)c2c1
InChIInChI=1S/C18H28N2O4S/c19-9-5-3-1-2-4-6-10-20-15-8-7-14-11-16(25(22,23)24)13-18(21)17(14)12-15/h7-8,11-13,20-24H,1-6,9-10,19H2
InChIKeyLINYCMSJAVHQQL-UHFFFAOYSA-N
XLogP4.84
TPSA118.97 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 54.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol?
The IUPAC name of 7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol (CID 23385799) is 7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol.
What is the SMILES notation for 7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol?
The canonical SMILES for 7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol is NCCCCCCCCNc1ccc2cc(S(O)(O)O)cc(O)c2c1.
What is the InChIKey of 7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol?
The InChIKey is LINYCMSJAVHQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c19-9-5-3-1-2-4-6-10-20-15-8-7-14-11-16(25(22,23)24)13-18(21)17(14)12-15/h7-8,11-13,20-24H,1-6,9-10,19H2.
What are the key properties of 7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol?
7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol has a molecular weight of 368.50 g/mol, XLogP of 4.84, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-aminooctylamino)-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol is sourced from PubChem (CID 23385799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).