2-(2-thiomorpholin-4-ylethylamino)hexanoic acid

C12H24N2O2S — CID 106326003

IUPAC2-(2-thiomorpholin-4-ylethylamino)hexanoic acid
SMILESCCCCC(NCCN1CCSCC1)C(=O)O
InChIInChI=1S/C12H24N2O2S/c1-2-3-4-11(12(15)16)13-5-6-14-7-9-17-10-8-14/h11,13H,2-10H2,1H3,(H,15,16)
InChIKeyXWEHEEAXTJGJEM-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.27
Rot. Bonds8

About 2-(2-thiomorpholin-4-ylethylamino)hexanoic acid

2-(2-thiomorpholin-4-ylethylamino)hexanoic acid (PubChem CID 106326003) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-(2-thiomorpholin-4-ylethylamino)hexanoic acid.

Molecular Properties

Compound Name2-(2-thiomorpholin-4-ylethylamino)hexanoic acid
PubChem CID106326003
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-(2-thiomorpholin-4-ylethylamino)hexanoic acid
SMILESCCCCC(NCCN1CCSCC1)C(=O)O
InChIInChI=1S/C12H24N2O2S/c1-2-3-4-11(12(15)16)13-5-6-14-7-9-17-10-8-14/h11,13H,2-10H2,1H3,(H,15,16)
InChIKeyXWEHEEAXTJGJEM-UHFFFAOYSA-N
XLogP1.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-thiomorpholin-4-ylethyl)heptan-3-amine
CID 115719254
2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 113310726
2-methyl-5-(2-thiomorpholin-4-ylethylcarbamoylamino)pentanoic acid
CID 106326229
methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate
CID 103248818
ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate
CID 106325112
2-(dodecylamino)hexanoic acid
CID 139637216
2-(thian-4-ylmethylamino)hexanoic acid
CID 103264318
(2S)-2-(3-pyrrolidin-1-ylpropylcarbamoylamino)hexanoic acid
CID 107146051
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-thiomorpholin-4-ylheptanoic acid
CID 156873103
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 106325399
2-(2-pyrazol-1-ylethylamino)hexanoic acid
CID 103247140

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiomorpholin-4-ylethylamino)hexanoic acid?
The IUPAC name of 2-(2-thiomorpholin-4-ylethylamino)hexanoic acid (CID 106326003) is 2-(2-thiomorpholin-4-ylethylamino)hexanoic acid.
What is the SMILES notation for 2-(2-thiomorpholin-4-ylethylamino)hexanoic acid?
The canonical SMILES for 2-(2-thiomorpholin-4-ylethylamino)hexanoic acid is CCCCC(NCCN1CCSCC1)C(=O)O.
What is the InChIKey of 2-(2-thiomorpholin-4-ylethylamino)hexanoic acid?
The InChIKey is XWEHEEAXTJGJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-3-4-11(12(15)16)13-5-6-14-7-9-17-10-8-14/h11,13H,2-10H2,1H3,(H,15,16).
What are the key properties of 2-(2-thiomorpholin-4-ylethylamino)hexanoic acid?
2-(2-thiomorpholin-4-ylethylamino)hexanoic acid has a molecular weight of 260.40 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiomorpholin-4-ylethylamino)hexanoic acid is sourced from PubChem (CID 106326003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).