(2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one

C12H24N2OS — CID 103831798

IUPAC(2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCSC(CC)C1
InChIInChI=1S/C12H24N2OS/c1-3-5-6-11(13)12(15)14-7-8-16-10(4-2)9-14/h10-11H,3-9,13H2,1-2H3/t10?,11-/m0/s1
InChIKeyPBNHIWXECRAQNV-DTIOYNMSSA-N
MW244.40 g/mol
LogP1.86
Rot. Bonds5

About (2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one

(2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one (PubChem CID 103831798) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is (2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one
PubChem CID103831798
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name(2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCSC(CC)C1
InChIInChI=1S/C12H24N2OS/c1-3-5-6-11(13)12(15)14-7-8-16-10(4-2)9-14/h10-11H,3-9,13H2,1-2H3/t10?,11-/m0/s1
InChIKeyPBNHIWXECRAQNV-DTIOYNMSSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-ethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 114350808
3-(2-ethylthiomorpholin-4-yl)-2-methyl-3-oxopropanoic acid
CID 114899063
1-(2-ethylthiomorpholin-4-yl)ethanone
CID 115661648
(2S)-2-amino-1-(2-ethylmorpholin-4-yl)hexan-1-one
CID 103831207
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
CID 107146417
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 115977074
3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one
CID 115734525
(2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one
CID 103831201
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
2-amino-1-(4-propylpiperazin-1-yl)hexan-1-one
CID 60854021
1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one
CID 103709578

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one?
The IUPAC name of (2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one (CID 103831798) is (2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one is CCCC[C@H](N)C(=O)N1CCSC(CC)C1.
What is the InChIKey of (2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one?
The InChIKey is PBNHIWXECRAQNV-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-5-6-11(13)12(15)14-7-8-16-10(4-2)9-14/h10-11H,3-9,13H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one?
(2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one has a molecular weight of 244.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one is sourced from PubChem (CID 103831798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).