naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate

C13H13NO2S — CID 71356284

IUPACnaphthalen-1-yl N-methyl-N-methylsulfanylcarbamate
SMILESCSN(C)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C13H13NO2S/c1-14(17-2)13(15)16-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
InChIKeyJINDBFRMOSSCMO-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.55
Rot. Bonds2

About naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate

naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate (PubChem CID 71356284) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate.

Molecular Properties

Compound Namenaphthalen-1-yl N-methyl-N-methylsulfanylcarbamate
PubChem CID71356284
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Namenaphthalen-1-yl N-methyl-N-methylsulfanylcarbamate
SMILESCSN(C)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C13H13NO2S/c1-14(17-2)13(15)16-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
InChIKeyJINDBFRMOSSCMO-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate
CID 87971307
naphthalen-1-yl N-methylcarbamate
CID 23447097
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
naphthalen-1-yl (E)-2-iodo-3-methylsulfanylprop-2-enoate
CID 156772115
5-O-(dimethylamino) 1-O-naphthalen-1-yl pentanedioate
CID 175099618
magnesium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173327127
calcium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173073118
O-naphthalen-1-yl methylsulfanylmethanethioate
CID 58882717
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263
naphthalen-1-yl 2-methoxyacetate
CID 19894343

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate?
The IUPAC name of naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate (CID 71356284) is naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate.
What is the SMILES notation for naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate?
The canonical SMILES for naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate is CSN(C)C(=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate?
The InChIKey is JINDBFRMOSSCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-14(17-2)13(15)16-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3.
What are the key properties of naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate?
naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate has a molecular weight of 247.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate is sourced from PubChem (CID 71356284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).