3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide

C12H25N3OS — CID 106325226

IUPAC3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
SMILESCCCC(N)CC(=O)NCCN1CCSCC1
InChIInChI=1S/C12H25N3OS/c1-2-3-11(13)10-12(16)14-4-5-15-6-8-17-9-7-15/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeyFAIOEPXXVDJAID-UHFFFAOYSA-N
MW259.42 g/mol
LogP0.67
Rot. Bonds7

About 3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide

3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide (PubChem CID 106325226) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is 3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide.

Molecular Properties

Compound Name3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
PubChem CID106325226
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC Name3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
SMILESCCCC(N)CC(=O)NCCN1CCSCC1
InChIInChI=1S/C12H25N3OS/c1-2-3-11(13)10-12(16)14-4-5-15-6-8-17-9-7-15/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeyFAIOEPXXVDJAID-UHFFFAOYSA-N
XLogP0.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 106325399
2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 113310726
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
3-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 114173784
2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 114173777
2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813658
4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide
CID 66426330
ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate
CID 106325112
2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 106325478
3-[(2-thiomorpholin-4-ylethylcarbamoylamino)methyl]pentanoic acid
CID 106326379
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 103813654
2-hydroxy-4-(2-thiomorpholin-4-ylethylcarbamoylamino)butanoic acid
CID 114173920

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide?
The IUPAC name of 3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide (CID 106325226) is 3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide.
What is the SMILES notation for 3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide?
The canonical SMILES for 3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide is CCCC(N)CC(=O)NCCN1CCSCC1.
What is the InChIKey of 3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide?
The InChIKey is FAIOEPXXVDJAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-2-3-11(13)10-12(16)14-4-5-15-6-8-17-9-7-15/h11H,2-10,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide?
3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide has a molecular weight of 259.42 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide is sourced from PubChem (CID 106325226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).