naphthalen-1-ylsulfanyl N-carbamoylcarbamate

C12H10N2O3S — CID 68502608

IUPACnaphthalen-1-ylsulfanyl N-carbamoylcarbamate
SMILESNC(=O)NC(=O)OSc1cccc2ccccc12
InChIInChI=1S/C12H10N2O3S/c13-11(15)14-12(16)17-18-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,13,14,15,16)
InChIKeySPQABEARCGPJDX-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.65
Rot. Bonds2

About naphthalen-1-ylsulfanyl N-carbamoylcarbamate

naphthalen-1-ylsulfanyl N-carbamoylcarbamate (PubChem CID 68502608) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is naphthalen-1-ylsulfanyl N-carbamoylcarbamate.

Molecular Properties

Compound Namenaphthalen-1-ylsulfanyl N-carbamoylcarbamate
PubChem CID68502608
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Namenaphthalen-1-ylsulfanyl N-carbamoylcarbamate
SMILESNC(=O)NC(=O)OSc1cccc2ccccc12
InChIInChI=1S/C12H10N2O3S/c13-11(15)14-12(16)17-18-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,13,14,15,16)
InChIKeySPQABEARCGPJDX-UHFFFAOYSA-N
XLogP2.65
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-1-ylurea;hydrochloride
CID 141142203
naphthalen-1-ylsulfanyl chlorate
CID 170558441
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 8695317
2-naphthalen-1-ylsulfanylethyl prop-2-enoate
CID 57077168
2-phenylethyl N-carbamoylcarbamate
CID 3027882
(naphthalen-1-ylamino) carbamate
CID 57425997
N'-naphthalen-1-ylsulfanylmethanediamine
CID 142909426
methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
CID 19963460
methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate
CID 116857163
N-methyl-2-naphthalen-1-ylsulfanylbenzamide
CID 2801926
azanylidyne(naphthalen-1-yl)-λ4-sulfane
CID 158900561
naphthalen-1-yl thiohypofluorite
CID 142394158

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylsulfanyl N-carbamoylcarbamate?
The IUPAC name of naphthalen-1-ylsulfanyl N-carbamoylcarbamate (CID 68502608) is naphthalen-1-ylsulfanyl N-carbamoylcarbamate.
What is the SMILES notation for naphthalen-1-ylsulfanyl N-carbamoylcarbamate?
The canonical SMILES for naphthalen-1-ylsulfanyl N-carbamoylcarbamate is NC(=O)NC(=O)OSc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylsulfanyl N-carbamoylcarbamate?
The InChIKey is SPQABEARCGPJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c13-11(15)14-12(16)17-18-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,13,14,15,16).
What are the key properties of naphthalen-1-ylsulfanyl N-carbamoylcarbamate?
naphthalen-1-ylsulfanyl N-carbamoylcarbamate has a molecular weight of 262.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylsulfanyl N-carbamoylcarbamate is sourced from PubChem (CID 68502608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).