2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate

C15H30N2O4S — CID 142542009

IUPAC2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate
SMILESCNCCOCCOCCOC(=O)NC1CCC(SC)CC1
InChIInChI=1S/C15H30N2O4S/c1-16-7-8-19-9-10-20-11-12-21-15(18)17-13-3-5-14(22-2)6-4-13/h13-14,16H,3-12H2,1-2H3,(H,17,18)
InChIKeyKYTZUTHDBVBPOT-UHFFFAOYSA-N
MW334.48 g/mol
LogP1.64
Rot. Bonds11

About 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate

2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate (PubChem CID 142542009) has the molecular formula C15H30N2O4S and a molecular weight of 334.48 g/mol. Its IUPAC name is 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate.

Molecular Properties

Compound Name2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate
PubChem CID142542009
Molecular FormulaC15H30N2O4S
Molecular Weight334.48 g/mol
Exact Mass334.19
IUPAC Name2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate
SMILESCNCCOCCOCCOC(=O)NC1CCC(SC)CC1
InChIInChI=1S/C15H30N2O4S/c1-16-7-8-19-9-10-20-11-12-21-15(18)17-13-3-5-14(22-2)6-4-13/h13-14,16H,3-12H2,1-2H3,(H,17,18)
InChIKeyKYTZUTHDBVBPOT-UHFFFAOYSA-N
XLogP1.64
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[(4-methylsulfanylcyclohexyl)carbamoyloxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 142541914
2-[2-[2-[2-[(4-methylsulfanylcyclohexyl)carbamoyloxy]ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 138468898
2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate
CID 142541949
2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate
CID 87799923
2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 142392004
2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate
CID 142541904
2-[2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[4-[(Z)-prop-1-enyl]sulfanylcyclohexyl]carbamate
CID 142541976
ethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate
CID 142542042
2-[2-[2-[2-[2-[(4-ethylsulfanylcyclohexyl)carbamoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate
CID 142541832
2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate
CID 142542075
ethane;N-(4-methylsulfanylcyclohexyl)propanamide
CID 142541803
2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate
CID 87800819

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate?
The IUPAC name of 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate (CID 142542009) is 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate.
What is the SMILES notation for 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate?
The canonical SMILES for 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate is CNCCOCCOCCOC(=O)NC1CCC(SC)CC1.
What is the InChIKey of 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate?
The InChIKey is KYTZUTHDBVBPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4S/c1-16-7-8-19-9-10-20-11-12-21-15(18)17-13-3-5-14(22-2)6-4-13/h13-14,16H,3-12H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate?
2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate has a molecular weight of 334.48 g/mol, XLogP of 1.64, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate is sourced from PubChem (CID 142542009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).