2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate

C21H43NO6S — CID 59867057

IUPAC2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
SMILESO=C(NCCOCCO)OCCOCCOCCCCCCCCCCCCS
InChIInChI=1S/C21H43NO6S/c23-12-15-26-14-11-22-21(24)28-19-18-27-17-16-25-13-9-7-5-3-1-2-4-6-8-10-20-29/h23,29H,1-20H2,(H,22,24)
InChIKeyCTDQMXUMKSQNSF-UHFFFAOYSA-N
MW437.64 g/mol
LogP3.59
Rot. Bonds23

About 2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate

2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate (PubChem CID 59867057) has the molecular formula C21H43NO6S and a molecular weight of 437.64 g/mol. Its IUPAC name is 2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate.

Molecular Properties

Compound Name2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
PubChem CID59867057
Molecular FormulaC21H43NO6S
Molecular Weight437.64 g/mol
Exact Mass437.28
IUPAC Name2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
SMILESO=C(NCCOCCO)OCCOCCOCCCCCCCCCCCCS
InChIInChI=1S/C21H43NO6S/c23-12-15-26-14-11-22-21(24)28-19-18-27-17-16-25-13-9-7-5-3-1-2-4-6-8-10-20-29/h23,29H,1-20H2,(H,22,24)
InChIKeyCTDQMXUMKSQNSF-UHFFFAOYSA-N
XLogP3.59
TPSA86.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.64
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[2-[2-(12-sulfanyldodecoxy)ethoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate
CID 88972229
2-(6-sulfanylhexoxy)ethanol
CID 88540112
2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate
CID 14782678
2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 138694078
2-hydroxyethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 79348554
12-sulfanyldodecyl N-butylcarbamate
CID 102593789
2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate
CID 87769608
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylurea
CID 71392373
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide
CID 101129520
2-hydroxyethyl N-(3-propoxypropyl)carbamate
CID 82947518
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 102138334
2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecoxy]ethoxy]ethoxy]ethanol
CID 71344110

Frequently Asked Questions

What is the IUPAC name of 2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The IUPAC name of 2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate (CID 59867057) is 2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate.
What is the SMILES notation for 2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The canonical SMILES for 2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate is O=C(NCCOCCO)OCCOCCOCCCCCCCCCCCCS.
What is the InChIKey of 2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The InChIKey is CTDQMXUMKSQNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO6S/c23-12-15-26-14-11-22-21(24)28-19-18-27-17-16-25-13-9-7-5-3-1-2-4-6-8-10-20-29/h23,29H,1-20H2,(H,22,24).
What are the key properties of 2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate?
2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate has a molecular weight of 437.64 g/mol, XLogP of 3.59, 23 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate is sourced from PubChem (CID 59867057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).