naphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate

C18H16N2O3S — CID 87971307

IUPACnaphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate
SMILESCOc1cccc(N(SC)C(=O)Oc2cccc3ccccc23)n1
InChIInChI=1S/C18H16N2O3S/c1-22-17-12-6-11-16(19-17)20(24-2)18(21)23-15-10-5-8-13-7-3-4-9-14(13)15/h3-12H,1-2H3
InChIKeyWELYHERHXPHVGI-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.53
Rot. Bonds4

About naphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate

naphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate (PubChem CID 87971307) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is naphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate.

Molecular Properties

Compound Namenaphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate
PubChem CID87971307
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Namenaphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate
SMILESCOc1cccc(N(SC)C(=O)Oc2cccc3ccccc23)n1
InChIInChI=1S/C18H16N2O3S/c1-22-17-12-6-11-16(19-17)20(24-2)18(21)23-15-10-5-8-13-7-3-4-9-14(13)15/h3-12H,1-2H3
InChIKeyWELYHERHXPHVGI-UHFFFAOYSA-N
XLogP4.53
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 3936
CID 3936
CID 145908
CID 145908
CID 70006062
CID 70006062
CID 139800454
CID 139800454
CID 9797509
CID 9797509
CID 13217580
CID 13217580
CID 13363617
CID 13363617
CID 13363632
CID 13363632
CID 13363636
CID 13363636
CID 13363638
CID 13363638
CID 13387376
CID 13387376
CID 13387377
CID 13387377

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate?
The IUPAC name of naphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate (CID 87971307) is naphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate.
What is the SMILES notation for naphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate?
The canonical SMILES for naphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate is COc1cccc(N(SC)C(=O)Oc2cccc3ccccc23)n1.
What is the InChIKey of naphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate?
The InChIKey is WELYHERHXPHVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-17-12-6-11-16(19-17)20(24-2)18(21)23-15-10-5-8-13-7-3-4-9-14(13)15/h3-12H,1-2H3.
What are the key properties of naphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate?
naphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate has a molecular weight of 340.40 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl N-(6-methoxy-2-pyridinyl)-N-methylsulfanylcarbamate is sourced from PubChem (CID 87971307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).