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

C15H17NO2S — CID 43177540

IUPACN-(naphthalen-1-ylmethyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCc2cccc3ccccc23)C1
InChIInChI=1S/C15H17NO2S/c17-19(18)9-8-14(11-19)16-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,16H,8-11H2
InChIKeyAIBXOFMHTXQHCF-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.12
Rot. Bonds3

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

N-(naphthalen-1-ylmethyl)-1,1-dioxothiolan-3-amine (PubChem CID 43177540) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-1,1-dioxothiolan-3-amine
PubChem CID43177540
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-(naphthalen-1-ylmethyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCc2cccc3ccccc23)C1
InChIInChI=1S/C15H17NO2S/c17-19(18)9-8-14(11-19)16-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,16H,8-11H2
InChIKeyAIBXOFMHTXQHCF-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(naphthalen-1-ylmethyl)-1,1-dioxothiolan-3-amine (CID 43177540) is N-(naphthalen-1-ylmethyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(NCc2cccc3ccccc23)C1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-1,1-dioxothiolan-3-amine?
The InChIKey is AIBXOFMHTXQHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-19(18)9-8-14(11-19)16-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,16H,8-11H2.
What are the key properties of N-(naphthalen-1-ylmethyl)-1,1-dioxothiolan-3-amine?
N-(naphthalen-1-ylmethyl)-1,1-dioxothiolan-3-amine has a molecular weight of 275.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43177540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).