tert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate

C15H30N2O5S — CID 84558313

IUPACtert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate
SMILESCOCCN(CCOC)C(=O)CSCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O5S/c1-15(2,3)22-14(19)16-6-11-23-12-13(18)17(7-9-20-4)8-10-21-5/h6-12H2,1-5H3,(H,16,19)
InChIKeySWJSRORXHHPPSY-UHFFFAOYSA-N
MW350.48 g/mol
LogP1.37
Rot. Bonds11

About tert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate

tert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate (PubChem CID 84558313) has the molecular formula C15H30N2O5S and a molecular weight of 350.48 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate
PubChem CID84558313
Molecular FormulaC15H30N2O5S
Molecular Weight350.48 g/mol
Exact Mass350.19
IUPAC Nametert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate
SMILESCOCCN(CCOC)C(=O)CSCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O5S/c1-15(2,3)22-14(19)16-6-11-23-12-13(18)17(7-9-20-4)8-10-21-5/h6-12H2,1-5H3,(H,16,19)
InChIKeySWJSRORXHHPPSY-UHFFFAOYSA-N
XLogP1.37
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84558140
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 137466262
methyl (2S)-5-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 59366631
tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate
CID 24689070
tert-butyl N-[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84558363
(2S)-5-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 59366705
tert-butyl N-[2-(2-aminooxyethyldisulfanyl)ethyl]carbamate
CID 59824687
tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate
CID 102729785
tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate
CID 127108190
tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
CID 58725633
tert-butyl N-[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanylethyl]carbamate
CID 84558345

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate (CID 84558313) is tert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate is COCCN(CCOC)C(=O)CSCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate?
The InChIKey is SWJSRORXHHPPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O5S/c1-15(2,3)22-14(19)16-6-11-23-12-13(18)17(7-9-20-4)8-10-21-5/h6-12H2,1-5H3,(H,16,19).
What are the key properties of tert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate?
tert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate has a molecular weight of 350.48 g/mol, XLogP of 1.37, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate is sourced from PubChem (CID 84558313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).