(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate

C20H39NO7S — CID 142542065

IUPAC(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCCCOCCOCCOCCOCCOCCNC(=O)OC1CCC(S)CC1
InChIInChI=1S/C20H39NO7S/c1-2-8-23-10-12-25-14-16-27-17-15-26-13-11-24-9-7-21-20(22)28-18-3-5-19(29)6-4-18/h18-19,29H,2-17H2,1H3,(H,21,22)
InChIKeyGEFCJFQFOZYKLM-UHFFFAOYSA-N
MW437.60 g/mol
LogP2.45
Rot. Bonds18

About (4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate

(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 142542065) has the molecular formula C20H39NO7S and a molecular weight of 437.60 g/mol. Its IUPAC name is (4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID142542065
Molecular FormulaC20H39NO7S
Molecular Weight437.60 g/mol
Exact Mass437.24
IUPAC Name(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCCCOCCOCCOCCOCCOCCNC(=O)OC1CCC(S)CC1
InChIInChI=1S/C20H39NO7S/c1-2-8-23-10-12-25-14-16-27-17-15-26-13-11-24-9-7-21-20(22)28-18-3-5-19(29)6-4-18/h18-19,29H,2-17H2,1H3,(H,21,22)
InChIKeyGEFCJFQFOZYKLM-UHFFFAOYSA-N
XLogP2.45
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.60
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;molecular hydrogen;propane;(4-sulfanylcyclohexyl) N-[2-(2-propoxyethoxy)ethyl]carbamate
CID 142541943
2-[2-[2-[2-[2-[2-[(4-sulfanylcyclohexyl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl butanoate
CID 142542016
molecular hydrogen;propane;(4-sulfanylcyclohexyl) N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]carbamate
CID 142541779
ethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 142541990
ethane;molecular hydrogen;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 142541980
methane;molecular hydrogen;propane;2-[2-[2-[2-[2-[2-[(4-sulfanylcyclohexyl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 142542110
ethane;3-methylbutanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 142541752
methane;molecular hydrogen;prop-1-ene;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 142542023
[(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 167312923
[(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 137334019
[(1S)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(1S)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171318905
cyclopropyl N-butylcarbamate
CID 165447718

Frequently Asked Questions

What is the IUPAC name of (4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of (4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 142542065) is (4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for (4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for (4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate is CCCOCCOCCOCCOCCOCCNC(=O)OC1CCC(S)CC1.
What is the InChIKey of (4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is GEFCJFQFOZYKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO7S/c1-2-8-23-10-12-25-14-16-27-17-15-26-13-11-24-9-7-21-20(22)28-18-3-5-19(29)6-4-18/h18-19,29H,2-17H2,1H3,(H,21,22).
What are the key properties of (4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 437.60 g/mol, XLogP of 2.45, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 142542065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).