ethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

C23H48N2O7S — CID 142541990

IUPACethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC.CCC=O.CNCCOCCOCCOCCOCCNC(=O)OC1CCC(S)CC1
InChIInChI=1S/C18H36N2O6S.C3H6O.C2H6/c1-19-6-8-22-10-12-24-14-15-25-13-11-23-9-7-20-18(21)26-16-2-4-17(27)5-3-16;1-2-3-4;1-2/h16-17,19,27H,2-15H2,1H3,(H,20,21);3H,2H2,1H3;1-2H3
InChIKeyKRGPHLKEGOXAKI-UHFFFAOYSA-N
MW496.71 g/mol
LogP2.86
Rot. Bonds17

About ethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

ethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 142541990) has the molecular formula C23H48N2O7S and a molecular weight of 496.71 g/mol. Its IUPAC name is ethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nameethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID142541990
Molecular FormulaC23H48N2O7S
Molecular Weight496.71 g/mol
Exact Mass496.32
IUPAC Nameethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC.CCC=O.CNCCOCCOCCOCCOCCNC(=O)OC1CCC(S)CC1
InChIInChI=1S/C18H36N2O6S.C3H6O.C2H6/c1-19-6-8-22-10-12-24-14-15-25-13-11-23-9-7-20-18(21)26-16-2-4-17(27)5-3-16;1-2-3-4;1-2/h16-17,19,27H,2-15H2,1H3,(H,20,21);3H,2H2,1H3;1-2H3
InChIKeyKRGPHLKEGOXAKI-UHFFFAOYSA-N
XLogP2.86
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.71
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methylbutanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 142541752
(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 142542065
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;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;prop-1-ene;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 142542023
methane;molecular hydrogen;propane;2-[2-[2-[2-[2-[2-[(4-sulfanylcyclohexyl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 142542110
[(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
[(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
iodo N-[2-[2-(methylamino)ethoxy]ethyl]carbamate
CID 167046629

Frequently Asked Questions

What is the IUPAC name of ethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of ethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 142541990) is ethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for ethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for ethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is CC.CCC=O.CNCCOCCOCCOCCOCCNC(=O)OC1CCC(S)CC1.
What is the InChIKey of ethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is KRGPHLKEGOXAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O6S.C3H6O.C2H6/c1-19-6-8-22-10-12-24-14-15-25-13-11-23-9-7-20-18(21)26-16-2-4-17(27)5-3-16;1-2-3-4;1-2/h16-17,19,27H,2-15H2,1H3,(H,20,21);3H,2H2,1H3;1-2H3.
What are the key properties of ethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
ethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 496.71 g/mol, XLogP of 2.86, 17 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propanal;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 142541990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).