methyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate

C18H23NO4S — CID 23464810

IUPACmethyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate
SMILESCCCCCCOS(=O)N(C(=O)OC)c1cccc2ccccc12
InChIInChI=1S/C18H23NO4S/c1-3-4-5-8-14-23-24(21)19(18(20)22-2)17-13-9-11-15-10-6-7-12-16(15)17/h6-7,9-13H,3-5,8,14H2,1-2H3
InChIKeyRWYPMAHPUBTVER-UHFFFAOYSA-N
MW349.45 g/mol
LogP4.59
Rot. Bonds8

About methyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate

methyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate (PubChem CID 23464810) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is methyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Namemethyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate
PubChem CID23464810
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Namemethyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate
SMILESCCCCCCOS(=O)N(C(=O)OC)c1cccc2ccccc12
InChIInChI=1S/C18H23NO4S/c1-3-4-5-8-14-23-24(21)19(18(20)22-2)17-13-9-11-15-10-6-7-12-16(15)17/h6-7,9-13H,3-5,8,14H2,1-2H3
InChIKeyRWYPMAHPUBTVER-UHFFFAOYSA-N
XLogP4.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate
CID 138084079
propyl N-methyl-N-naphthalen-1-ylcarbamate
CID 71338053
methyl 2-decoxynaphthalene-1-carboxylate
CID 118870325
azane;dodecyl naphthalene-1-carboxylate
CID 172795658
2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide
CID 175049026
N-naphthalen-1-yldodecanamide
CID 588517
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
N-(4-hexoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 54809387
1-(hexoxymethyl)naphthalene
CID 18427527
1-naphthalen-1-yldodecan-1-one
CID 3424169
1-O-heptyl 2-O-naphthalen-1-yl benzene-1,2-dicarboxylate
CID 6423492
dioctyl benzene-1,2-dicarboxylate;naphthalen-1-ol
CID 174622604

Frequently Asked Questions

What is the IUPAC name of methyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate?
The IUPAC name of methyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate (CID 23464810) is methyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate.
What is the SMILES notation for methyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate?
The canonical SMILES for methyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate is CCCCCCOS(=O)N(C(=O)OC)c1cccc2ccccc12.
What is the InChIKey of methyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate?
The InChIKey is RWYPMAHPUBTVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-3-4-5-8-14-23-24(21)19(18(20)22-2)17-13-9-11-15-10-6-7-12-16(15)17/h6-7,9-13H,3-5,8,14H2,1-2H3.
What are the key properties of methyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate?
methyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate has a molecular weight of 349.45 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-hexoxysulfinyl-N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 23464810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).