2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide

C12H25N3OS — CID 114173777

IUPAC2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide
SMILESCCCC(CN)C(=O)NCCN1CCSCC1
InChIInChI=1S/C12H25N3OS/c1-2-3-11(10-13)12(16)14-4-5-15-6-8-17-9-7-15/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeyYVVMDBBESSZTKW-UHFFFAOYSA-N
MW259.42 g/mol
LogP0.53
Rot. Bonds7

About 2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide

2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide (PubChem CID 114173777) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide
PubChem CID114173777
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC Name2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide
SMILESCCCC(CN)C(=O)NCCN1CCSCC1
InChIInChI=1S/C12H25N3OS/c1-2-3-11(10-13)12(16)14-4-5-15-6-8-17-9-7-15/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeyYVVMDBBESSZTKW-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
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-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 106325226
2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813658
2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 106325478
ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate
CID 106325112
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 106024201
2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide
CID 107296139
2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide
CID 106327147
2-(aminomethyl)-4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 107471024
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 103813654

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide (CID 114173777) is 2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide is CCCC(CN)C(=O)NCCN1CCSCC1.
What is the InChIKey of 2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide?
The InChIKey is YVVMDBBESSZTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-2-3-11(10-13)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 2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide?
2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide has a molecular weight of 259.42 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)pentanamide is sourced from PubChem (CID 114173777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).