1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene

C13H11INO2S- — CID 67409921

IUPAC1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene
SMILESO=S([O-])N(c1cccc2c(I)cccc12)C1CC1
InChIInChI=1S/C13H12INO2S/c14-12-5-1-4-11-10(12)3-2-6-13(11)15(18(16)17)9-7-8-9/h1-6,9H,7-8H2,(H,16,17)/p-1
InChIKeyGDOGFHNWENMNJR-UHFFFAOYSA-M
MW372.21 g/mol
LogP3.21
Rot. Bonds3

About 1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene

1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene (PubChem CID 67409921) has the molecular formula C13H11INO2S- and a molecular weight of 372.21 g/mol. Its IUPAC name is 1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene.

Molecular Properties

Compound Name1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene
PubChem CID67409921
Molecular FormulaC13H11INO2S-
Molecular Weight372.21 g/mol
Exact Mass371.96
IUPAC Name1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene
SMILESO=S([O-])N(c1cccc2c(I)cccc12)C1CC1
InChIInChI=1S/C13H12INO2S/c14-12-5-1-4-11-10(12)3-2-6-13(11)15(18(16)17)9-7-8-9/h1-6,9H,7-8H2,(H,16,17)/p-1
InChIKeyGDOGFHNWENMNJR-UHFFFAOYSA-M
XLogP3.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene?
The IUPAC name of 1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene (CID 67409921) is 1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene.
What is the SMILES notation for 1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene?
The canonical SMILES for 1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene is O=S([O-])N(c1cccc2c(I)cccc12)C1CC1.
What is the InChIKey of 1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene?
The InChIKey is GDOGFHNWENMNJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12INO2S/c14-12-5-1-4-11-10(12)3-2-6-13(11)15(18(16)17)9-7-8-9/h1-6,9H,7-8H2,(H,16,17)/p-1.
What are the key properties of 1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene?
1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene has a molecular weight of 372.21 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene is sourced from PubChem (CID 67409921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).