1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine

C16H19NO2S — CID 64905999

IUPAC1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine
SMILESNC(Cc1cccc2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H19NO2S/c17-16(14-8-9-20(18,19)11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,16H,8-11,17H2
InChIKeySUOXMFZUBRIYDB-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.14
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine

1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine (PubChem CID 64905999) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine
PubChem CID64905999
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine
SMILESNC(Cc1cccc2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H19NO2S/c17-16(14-8-9-20(18,19)11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,16H,8-11,17H2
InChIKeySUOXMFZUBRIYDB-UHFFFAOYSA-N
XLogP2.14
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylcyclopentyl)-2-naphthalen-1-ylethanamine
CID 65413962
2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine
CID 105131271
2-(2-chloro-4-methylphenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 106867239
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 27710322
1-(1,1-dioxothiolan-3-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 47158148
1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylpropan-2-one
CID 105087928
2-(2-chloro-4-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 65020242
1-(1,1-dioxothiolan-3-yl)-2-thiophen-3-ylethanamine
CID 64905789
2-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 64905184
1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol
CID 64904593
1-(2-bicyclo[2.2.1]heptanyl)-2-naphthalen-1-ylethanamine
CID 63528750
naphthalen-1-ylmethyl 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzoate
CID 8665444

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine (CID 64905999) is 1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine is NC(Cc1cccc2ccccc12)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine?
The InChIKey is SUOXMFZUBRIYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c17-16(14-8-9-20(18,19)11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,16H,8-11,17H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine?
1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine has a molecular weight of 289.40 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 64905999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).