methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate

C15H25NO2S — CID 113373650

IUPACmethyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate
SMILESCCCCC(C(=O)OC)N(C)C(C)Cc1cccs1
InChIInChI=1S/C15H25NO2S/c1-5-6-9-14(15(17)18-4)16(3)12(2)11-13-8-7-10-19-13/h7-8,10,12,14H,5-6,9,11H2,1-4H3
InChIKeyHIIVIVSCCPGUMV-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.34
Rot. Bonds8

About methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate

methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate (PubChem CID 113373650) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate
PubChem CID113373650
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Namemethyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate
SMILESCCCCC(C(=O)OC)N(C)C(C)Cc1cccs1
InChIInChI=1S/C15H25NO2S/c1-5-6-9-14(15(17)18-4)16(3)12(2)11-13-8-7-10-19-13/h7-8,10,12,14H,5-6,9,11H2,1-4H3
InChIKeyHIIVIVSCCPGUMV-UHFFFAOYSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate
CID 112547960
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide
CID 79494279
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79476562
ethyl 2-(thiophen-2-ylmethylamino)hexanoate
CID 61353160
3-N-methyl-1-N-propyl-3-N-(1-thiophen-2-ylpropan-2-yl)butane-1,3-diamine
CID 79493690
methyl (2R)-2-[[amino-[bis(thiophen-2-ylmethyl)amino]methylidene]amino]hexanoate
CID 163791117
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 83054060
methyl 2-thiophen-2-yloctanoate
CID 67745736
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
ethyl 2-(thiophen-2-ylmethylamino)heptanoate
CID 54895021
2-thiophen-2-ylhexanehydrazide
CID 174523282

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate?
The IUPAC name of methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate (CID 113373650) is methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate.
What is the SMILES notation for methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate?
The canonical SMILES for methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate is CCCCC(C(=O)OC)N(C)C(C)Cc1cccs1.
What is the InChIKey of methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate?
The InChIKey is HIIVIVSCCPGUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-6-9-14(15(17)18-4)16(3)12(2)11-13-8-7-10-19-13/h7-8,10,12,14H,5-6,9,11H2,1-4H3.
What are the key properties of methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate?
methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate has a molecular weight of 283.44 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate is sourced from PubChem (CID 113373650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).