2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid

C13H21NO2S — CID 63944724

IUPAC2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid
SMILESCCCCC(CC)(NCc1cccs1)C(=O)O
InChIInChI=1S/C13H21NO2S/c1-3-5-8-13(4-2,12(15)16)14-10-11-7-6-9-17-11/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,15,16)
InChIKeyAZMCACRBWRVQDF-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.26
Rot. Bonds8

About 2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid

2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid (PubChem CID 63944724) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid
PubChem CID63944724
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid
SMILESCCCCC(CC)(NCc1cccs1)C(=O)O
InChIInChI=1S/C13H21NO2S/c1-3-5-8-13(4-2,12(15)16)14-10-11-7-6-9-17-11/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,15,16)
InChIKeyAZMCACRBWRVQDF-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
2-ethyl-2-(ethylamino)-5-thiophen-2-ylsulfanylpentanoic acid
CID 106807267
2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid
CID 79803856
2-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)butanoic acid
CID 61001317
2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine
CID 80557369
2,2-dimethyl-5-thiophen-2-ylpentanoic acid
CID 10846225
2-(4-propan-2-ylphenyl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61002200
2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 64991037
2-(4-ethoxyphenyl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001696
N,N,2-trimethyl-2-(thiophen-2-ylmethylamino)propanamide
CID 115618443
[(2S)-2-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]carbamic acid
CID 87945006
3-[(2S)-2-hydroxyhexan-2-yl]-1,1-bis(thiophen-2-ylmethyl)urea
CID 118627890

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid?
The IUPAC name of 2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid (CID 63944724) is 2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid.
What is the SMILES notation for 2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid?
The canonical SMILES for 2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid is CCCCC(CC)(NCc1cccs1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid?
The InChIKey is AZMCACRBWRVQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-3-5-8-13(4-2,12(15)16)14-10-11-7-6-9-17-11/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid?
2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid has a molecular weight of 255.38 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid is sourced from PubChem (CID 63944724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).