N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine

C16H19NO2S — CID 43177589

IUPACN-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine
SMILESCC(NC1CCS(=O)(=O)C1)c1cccc2ccccc12
InChIInChI=1S/C16H19NO2S/c1-12(17-14-9-10-20(18,19)11-14)15-8-4-6-13-5-2-3-7-16(13)15/h2-8,12,14,17H,9-11H2,1H3
InChIKeyAGOHZMGTNJZBLO-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.68
Rot. Bonds3

About N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine

N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine (PubChem CID 43177589) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine
PubChem CID43177589
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine
SMILESCC(NC1CCS(=O)(=O)C1)c1cccc2ccccc12
InChIInChI=1S/C16H19NO2S/c1-12(17-14-9-10-20(18,19)11-14)15-8-4-6-13-5-2-3-7-16(13)15/h2-8,12,14,17H,9-11H2,1H3
InChIKeyAGOHZMGTNJZBLO-UHFFFAOYSA-N
XLogP2.68
TPSA46.17 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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-naphthalen-1-ylethyl)-1,1-dioxothian-4-amine
CID 43511636
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
N-[1-(2-fluorophenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 43177596
molecular hydrogen;N-[(1R)-1-naphthalen-1-ylethyl]cyclohexanamine
CID 143807841
N-[(1R)-1-naphthalen-1-ylethyl]azetidin-3-amine
CID 58973497
(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride
CID 67407230
N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
CID 158787446
N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 81402788
2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol
CID 105092607
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 27710322
(3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine
CID 156776321
(4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone
CID 59617429

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine (CID 43177589) is N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine is CC(NC1CCS(=O)(=O)C1)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine?
The InChIKey is AGOHZMGTNJZBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12(17-14-9-10-20(18,19)11-14)15-8-4-6-13-5-2-3-7-16(13)15/h2-8,12,14,17H,9-11H2,1H3.
What are the key properties of N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine?
N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine has a molecular weight of 289.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43177589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).