3-(2-thiomorpholin-4-ylethylamino)propanamide

C9H19N3OS — CID 106325237

IUPAC3-(2-thiomorpholin-4-ylethylamino)propanamide
SMILESNC(=O)CCNCCN1CCSCC1
InChIInChI=1S/C9H19N3OS/c10-9(13)1-2-11-3-4-12-5-7-14-8-6-12/h11H,1-8H2,(H2,10,13)
InChIKeyHFCFLFKHJWMVQL-UHFFFAOYSA-N
MW217.34 g/mol
LogP-0.50
Rot. Bonds6

About 3-(2-thiomorpholin-4-ylethylamino)propanamide

3-(2-thiomorpholin-4-ylethylamino)propanamide (PubChem CID 106325237) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is 3-(2-thiomorpholin-4-ylethylamino)propanamide.

Molecular Properties

Compound Name3-(2-thiomorpholin-4-ylethylamino)propanamide
PubChem CID106325237
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC Name3-(2-thiomorpholin-4-ylethylamino)propanamide
SMILESNC(=O)CCNCCN1CCSCC1
InChIInChI=1S/C9H19N3OS/c10-9(13)1-2-11-3-4-12-5-7-14-8-6-12/h11H,1-8H2,(H2,10,13)
InChIKeyHFCFLFKHJWMVQL-UHFFFAOYSA-N
XLogP-0.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-3-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325729
3-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60669793
N-methyl-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325242
N-cyclopropyl-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325201
3,3,3-trifluoro-2-[(2-thiomorpholin-4-ylethylamino)methyl]propanoic acid
CID 106325978
2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60673194
2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide
CID 114174018
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574718
3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol
CID 106325271
3-thiomorpholin-4-ylpropanethioamide
CID 28787445
2-amino-3-methyl-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813658

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiomorpholin-4-ylethylamino)propanamide?
The IUPAC name of 3-(2-thiomorpholin-4-ylethylamino)propanamide (CID 106325237) is 3-(2-thiomorpholin-4-ylethylamino)propanamide.
What is the SMILES notation for 3-(2-thiomorpholin-4-ylethylamino)propanamide?
The canonical SMILES for 3-(2-thiomorpholin-4-ylethylamino)propanamide is NC(=O)CCNCCN1CCSCC1.
What is the InChIKey of 3-(2-thiomorpholin-4-ylethylamino)propanamide?
The InChIKey is HFCFLFKHJWMVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c10-9(13)1-2-11-3-4-12-5-7-14-8-6-12/h11H,1-8H2,(H2,10,13).
What are the key properties of 3-(2-thiomorpholin-4-ylethylamino)propanamide?
3-(2-thiomorpholin-4-ylethylamino)propanamide has a molecular weight of 217.34 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiomorpholin-4-ylethylamino)propanamide is sourced from PubChem (CID 106325237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).