methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate

C14H23NO2S — CID 112547960

IUPACmethyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate
SMILESCCCCC(C(=O)OC)N(CC)Cc1cccs1
InChIInChI=1S/C14H23NO2S/c1-4-6-9-13(14(16)17-3)15(5-2)11-12-8-7-10-18-12/h7-8,10,13H,4-6,9,11H2,1-3H3
InChIKeyFDPAOBPLTCXQHG-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.30
Rot. Bonds8

About methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate

methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate (PubChem CID 112547960) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate
PubChem CID112547960
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate
SMILESCCCCC(C(=O)OC)N(CC)Cc1cccs1
InChIInChI=1S/C14H23NO2S/c1-4-6-9-13(14(16)17-3)15(5-2)11-12-8-7-10-18-12/h7-8,10,13H,4-6,9,11H2,1-3H3
InChIKeyFDPAOBPLTCXQHG-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate
CID 113373650
methyl (2R)-2-[[amino-[bis(thiophen-2-ylmethyl)amino]methylidene]amino]hexanoate
CID 163791117
ethyl 2-(thiophen-2-ylmethylamino)hexanoate
CID 61353160
2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide
CID 76534196
4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine
CID 62462942
(5S)-5-amino-1-thiophen-2-ylnonan-4-one
CID 15298316
[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl] N,N-bis(thiophen-2-ylmethyl)carbamate
CID 67704645
tert-butyl N-[(2R)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]carbamate
CID 140616777
methyl 2-thiophen-2-yloctanoate
CID 67745736
2-methoxy-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 112686946
methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate
CID 134951408
methyl 3-methyl-2-[methyl(thiophen-2-ylmethyl)carbamoyl]butanoate
CID 115188071

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate?
The IUPAC name of methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate (CID 112547960) is methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate.
What is the SMILES notation for methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate?
The canonical SMILES for methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate is CCCCC(C(=O)OC)N(CC)Cc1cccs1.
What is the InChIKey of methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate?
The InChIKey is FDPAOBPLTCXQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-6-9-13(14(16)17-3)15(5-2)11-12-8-7-10-18-12/h7-8,10,13H,4-6,9,11H2,1-3H3.
What are the key properties of methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate?
methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate has a molecular weight of 269.41 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate is sourced from PubChem (CID 112547960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).