4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine

C14H15NO3S — CID 63691519

IUPAC4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine
SMILESNc1ccc(OC2CCS(=O)(=O)C2)c2ccccc12
InChIInChI=1S/C14H15NO3S/c15-13-5-6-14(12-4-2-1-3-11(12)13)18-10-7-8-19(16,17)9-10/h1-6,10H,7-9,15H2
InChIKeyJXXJGDPXJVRRCE-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.99
Rot. Bonds2

About 4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine

4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine (PubChem CID 63691519) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine.

Molecular Properties

Compound Name4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine
PubChem CID63691519
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine
SMILESNc1ccc(OC2CCS(=O)(=O)C2)c2ccccc12
InChIInChI=1S/C14H15NO3S/c15-13-5-6-14(12-4-2-1-3-11(12)13)18-10-7-8-19(16,17)9-10/h1-6,10H,7-9,15H2
InChIKeyJXXJGDPXJVRRCE-UHFFFAOYSA-N
XLogP1.99
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Naphthalenamine, 4-butoxy-
CID 3041748
4-(Benzyloxy)naphthalen-1-amine
CID 23120763
m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy-
CID 201341
m-Toluidine, alpha-(ethylsulfonyl)-4-(octyloxy)-
CID 201344
m-Toluidine, alpha-(methylsulfonyl)-4-propoxy-
CID 201337
m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)-
CID 201338
m-Toluidine, alpha-(methylsulfonyl)-4-(pentyloxy)-
CID 201339
m-Toluidine, 4-(heptyloxy)-alpha-(methylsulfonyl)-
CID 201340
m-Toluidine, alpha-(methylsulfonyl)-4-(nonyloxy)-
CID 201342
m-Toluidine, 4-(hexyloxy)-alpha-(methylsulfonyl)-
CID 201365
4,4,4-trifluoro-N-(4-naphthalen-1-yloxyphenyl)butane-1-sulfonamide
CID 59962196
1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide
CID 162383752

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine?
The IUPAC name of 4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine (CID 63691519) is 4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine.
What is the SMILES notation for 4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine?
The canonical SMILES for 4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine is Nc1ccc(OC2CCS(=O)(=O)C2)c2ccccc12.
What is the InChIKey of 4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine?
The InChIKey is JXXJGDPXJVRRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c15-13-5-6-14(12-4-2-1-3-11(12)13)18-10-7-8-19(16,17)9-10/h1-6,10H,7-9,15H2.
What are the key properties of 4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine?
4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine has a molecular weight of 277.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine is sourced from PubChem (CID 63691519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).