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

C12H25N3OS — CID 113310726

IUPAC2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
SMILESCCCCC(N)C(=O)NCCN1CCSCC1
InChIInChI=1S/C12H25N3OS/c1-2-3-4-11(13)12(16)14-5-6-15-7-9-17-10-8-15/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeyYKMOSCCYUYGYSJ-UHFFFAOYSA-N
MW259.42 g/mol
LogP0.67
Rot. Bonds7

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

2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide (PubChem CID 113310726) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
PubChem CID113310726
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC Name2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
SMILESCCCCC(N)C(=O)NCCN1CCSCC1
InChIInChI=1S/C12H25N3OS/c1-2-3-4-11(13)12(16)14-5-6-15-7-9-17-10-8-15/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeyYKMOSCCYUYGYSJ-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-(4-methylpiperazin-1-yl)ethyl]hexanamide
CID 54860791
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966
2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 114173777
3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 106325226
2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813658
2-(2-thiomorpholin-4-ylethylamino)hexanoic acid
CID 106326003
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
(2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide
CID 131845980
2-amino-N-hexylhexanamide
CID 60852762

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide?
The IUPAC name of 2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide (CID 113310726) is 2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide.
What is the SMILES notation for 2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide?
The canonical SMILES for 2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide is CCCCC(N)C(=O)NCCN1CCSCC1.
What is the InChIKey of 2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide?
The InChIKey is YKMOSCCYUYGYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-2-3-4-11(13)12(16)14-5-6-15-7-9-17-10-8-15/h11H,2-10,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide?
2-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 2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide is sourced from PubChem (CID 113310726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).