2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate

C24H47NO10S — CID 177239965

IUPAC2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
SMILESCC(C)(C)OC(=O)N(CCOCCOCCOCCOCCOCCOS(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C24H47NO10S/c1-24(2,3)35-23(26)25(22-8-6-5-7-9-22)10-11-29-12-13-30-14-15-31-16-17-32-18-19-33-20-21-34-36(4,27)28/h22H,5-21H2,1-4H3
InChIKeyXPWVZAJDZMMQIM-UHFFFAOYSA-N
MW541.70 g/mol
LogP2.62
Rot. Bonds20

About 2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate

2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate (PubChem CID 177239965) has the molecular formula C24H47NO10S and a molecular weight of 541.70 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
PubChem CID177239965
Molecular FormulaC24H47NO10S
Molecular Weight541.70 g/mol
Exact Mass541.29
IUPAC Name2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
SMILESCC(C)(C)OC(=O)N(CCOCCOCCOCCOCCOCCOS(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C24H47NO10S/c1-24(2,3)35-23(26)25(22-8-6-5-7-9-22)10-11-29-12-13-30-14-15-31-16-17-32-18-19-33-20-21-34-36(4,27)28/h22H,5-21H2,1-4H3
InChIKeyXPWVZAJDZMMQIM-UHFFFAOYSA-N
XLogP2.62
TPSA119.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.70
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate with MolForge

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Related Compounds

tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate
CID 135248450
tert-butyl N-[3-(benzenesulfonyl)propyl]-N-cyclohexylcarbamate
CID 19593183
tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate
CID 174542178
tert-butyl N-cyclohexyl-N-[2-(trioxidanylsulfanyl)ethyl]carbamate
CID 58676250
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 139937632
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343
tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate
CID 107251904
tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate
CID 23506980
tert-butyl N-cycloheptyl-N-[2-(3-methylsulfanylpropylamino)ethyl]carbamate
CID 107251907

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate (CID 177239965) is 2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate is CC(C)(C)OC(=O)N(CCOCCOCCOCCOCCOCCOS(C)(=O)=O)C1CCCCC1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The InChIKey is XPWVZAJDZMMQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO10S/c1-24(2,3)35-23(26)25(22-8-6-5-7-9-22)10-11-29-12-13-30-14-15-31-16-17-32-18-19-33-20-21-34-36(4,27)28/h22H,5-21H2,1-4H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate has a molecular weight of 541.70 g/mol, XLogP of 2.62, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate is sourced from PubChem (CID 177239965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).