methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate

C14H26N2O3S — CID 82909407

IUPACmethyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate
SMILESCCC(CC)CN(CC(=O)OC)C(=O)C1CSCCN1
InChIInChI=1S/C14H26N2O3S/c1-4-11(5-2)8-16(9-13(17)19-3)14(18)12-10-20-7-6-15-12/h11-12,15H,4-10H2,1-3H3
InChIKeyUPWWBLZAYBNPCQ-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.13
Rot. Bonds7

About methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate

methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate (PubChem CID 82909407) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate
PubChem CID82909407
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Namemethyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate
SMILESCCC(CC)CN(CC(=O)OC)C(=O)C1CSCCN1
InChIInChI=1S/C14H26N2O3S/c1-4-11(5-2)8-16(9-13(17)19-3)14(18)12-10-20-7-6-15-12/h11-12,15H,4-10H2,1-3H3
InChIKeyUPWWBLZAYBNPCQ-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate (CID 82909407) is methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate is CCC(CC)CN(CC(=O)OC)C(=O)C1CSCCN1.
What is the InChIKey of methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate?
The InChIKey is UPWWBLZAYBNPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-4-11(5-2)8-16(9-13(17)19-3)14(18)12-10-20-7-6-15-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate?
methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate has a molecular weight of 302.44 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate is sourced from PubChem (CID 82909407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).