[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate

C14H18N2O4S — CID 9417359

IUPAC[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCN(CC(=O)NC1CC1)C(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C14H18N2O4S/c1-16(7-12(17)15-11-2-3-11)13(18)8-20-14(19)6-10-4-5-21-9-10/h4-5,9,11H,2-3,6-8H2,1H3,(H,15,17)
InChIKeySVGXQIRSBMPTMJ-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.57
Rot. Bonds7

About [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 9417359) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID9417359
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCN(CC(=O)NC1CC1)C(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C14H18N2O4S/c1-16(7-12(17)15-11-2-3-11)13(18)8-20-14(19)6-10-4-5-21-9-10/h4-5,9,11H,2-3,6-8H2,1H3,(H,15,17)
InChIKeySVGXQIRSBMPTMJ-UHFFFAOYSA-N
XLogP0.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130632
[2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2591089
N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
CID 79111056
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 9414507
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 8640962
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 47013772
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4668327
3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338225
tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate
CID 71629850
2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 43572560
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 8600824
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9416612

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate (CID 9417359) is [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate is CN(CC(=O)NC1CC1)C(=O)COC(=O)Cc1ccsc1.
What is the InChIKey of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is SVGXQIRSBMPTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-16(7-12(17)15-11-2-3-11)13(18)8-20-14(19)6-10-4-5-21-9-10/h4-5,9,11H,2-3,6-8H2,1H3,(H,15,17).
What are the key properties of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 310.38 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 9417359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).