tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate

C15H30N2O4S — CID 107256930

IUPACtert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate
SMILESCOCCN(CCNC1CCS(=O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O4S/c1-15(2,3)21-14(18)17(9-10-20-4)8-7-16-13-5-11-22(19)12-6-13/h13,16H,5-12H2,1-4H3
InChIKeyIRLFFBXPXNCFTA-UHFFFAOYSA-N
MW334.48 g/mol
LogP1.37
Rot. Bonds7

About tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate

tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate (PubChem CID 107256930) has the molecular formula C15H30N2O4S and a molecular weight of 334.48 g/mol. Its IUPAC name is tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate
PubChem CID107256930
Molecular FormulaC15H30N2O4S
Molecular Weight334.48 g/mol
Exact Mass334.19
IUPAC Nametert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate
SMILESCOCCN(CCNC1CCS(=O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O4S/c1-15(2,3)21-14(18)17(9-10-20-4)8-7-16-13-5-11-22(19)12-6-13/h13,16H,5-12H2,1-4H3
InChIKeyIRLFFBXPXNCFTA-UHFFFAOYSA-N
XLogP1.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-methoxyethyl)-N-[2-[(2-methyloxolan-3-yl)amino]ethyl]carbamate
CID 103906269
tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256973
tert-butyl 3-[(1-oxothian-4-yl)amino]propanoate
CID 103264896
tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
CID 103846759
tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256920
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256998
tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 103906265
tert-butyl N-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]-N-ethylcarbamate
CID 107245360
tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate
CID 107245345
tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate
CID 107245484
tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103698952
tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate
CID 103920837

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate (CID 107256930) is tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate is COCCN(CCNC1CCS(=O)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate?
The InChIKey is IRLFFBXPXNCFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4S/c1-15(2,3)21-14(18)17(9-10-20-4)8-7-16-13-5-11-22(19)12-6-13/h13,16H,5-12H2,1-4H3.
What are the key properties of tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate?
tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate has a molecular weight of 334.48 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate is sourced from PubChem (CID 107256930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).