2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate

C20H41NO3S — CID 15724510

IUPAC2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate
SMILESCCCCCCCCCCCCCCCNC(=O)OCCSCCO
InChIInChI=1S/C20H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-20(23)24-17-19-25-18-16-22/h22H,2-19H2,1H3,(H,21,23)
InChIKeySRGIWCHHOBTYSE-UHFFFAOYSA-N
MW375.62 g/mol
LogP5.53
Rot. Bonds19

About 2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate

2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate (PubChem CID 15724510) has the molecular formula C20H41NO3S and a molecular weight of 375.62 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate
PubChem CID15724510
Molecular FormulaC20H41NO3S
Molecular Weight375.62 g/mol
Exact Mass375.28
IUPAC Name2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate
SMILESCCCCCCCCCCCCCCCNC(=O)OCCSCCO
InChIInChI=1S/C20H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-20(23)24-17-19-25-18-16-22/h22H,2-19H2,1H3,(H,21,23)
InChIKeySRGIWCHHOBTYSE-UHFFFAOYSA-N
XLogP5.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.62
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl N-heptylcarbamate
CID 124705283
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
2-fluoroethyl N-hexylcarbamate
CID 87287131
azane;octyl N-octylcarbamate
CID 175531380
2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate
CID 14782678
2-bromoethyl N-octadecylcarbamate
CID 59133738
butyl N-(3-hydroxypropyl)carbamate
CID 57302125
2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate
CID 21260148

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate (CID 15724510) is 2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate is CCCCCCCCCCCCCCCNC(=O)OCCSCCO.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate?
The InChIKey is SRGIWCHHOBTYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-20(23)24-17-19-25-18-16-22/h22H,2-19H2,1H3,(H,21,23).
What are the key properties of 2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate?
2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate has a molecular weight of 375.62 g/mol, XLogP of 5.53, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate is sourced from PubChem (CID 15724510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).