2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate

C15H22N2O5S — CID 88978473

IUPAC2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
SMILESO=C(NCCCS)OCCOCCOC(=O)Nc1ccccc1
InChIInChI=1S/C15H22N2O5S/c18-14(16-7-4-12-23)21-10-8-20-9-11-22-15(19)17-13-5-2-1-3-6-13/h1-3,5-6,23H,4,7-12H2,(H,16,18)(H,17,19)
InChIKeyOLVVIZBSGCCIGL-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.30
Rot. Bonds10

About 2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate

2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate (PubChem CID 88978473) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate.

Molecular Properties

Compound Name2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
PubChem CID88978473
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
SMILESO=C(NCCCS)OCCOCCOC(=O)Nc1ccccc1
InChIInChI=1S/C15H22N2O5S/c18-14(16-7-4-12-23)21-10-8-20-9-11-22-15(19)17-13-5-2-1-3-6-13/h1-3,5-6,23H,4,7-12H2,(H,16,18)(H,17,19)
InChIKeyOLVVIZBSGCCIGL-UHFFFAOYSA-N
XLogP2.30
TPSA85.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
2-ethoxyethyl N-phenylcarbamate
CID 4101389
2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate
CID 158664121
benzene;5-carbamoyloxypentyl N-phenylcarbamate
CID 157392925
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
dodecyl N-phenylcarbamate
CID 521818
8-(phenylcarbamoyloxy)octa-3,5-diynyl N-phenylcarbamate
CID 15528686
[(E)-16-(phenylcarbamoyloxy)hexadec-8-enyl] N-phenylcarbamate
CID 134983552
3-methylbutyl N-phenylcarbamate
CID 69480810
2-[2-[2-[2-(12-sulfanyldodecoxy)ethoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate
CID 88972229
2-phenylmethoxyethyl N-(2-aminoethyl)carbamate
CID 129321267
2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 59867057

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate?
The IUPAC name of 2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate (CID 88978473) is 2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate.
What is the SMILES notation for 2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate?
The canonical SMILES for 2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate is O=C(NCCCS)OCCOCCOC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate?
The InChIKey is OLVVIZBSGCCIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c18-14(16-7-4-12-23)21-10-8-20-9-11-22-15(19)17-13-5-2-1-3-6-13/h1-3,5-6,23H,4,7-12H2,(H,16,18)(H,17,19).
What are the key properties of 2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate?
2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate has a molecular weight of 342.42 g/mol, XLogP of 2.30, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate is sourced from PubChem (CID 88978473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).