2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide

C9H17N3O3S — CID 106175845

IUPAC2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
SMILESNC(=O)C(O)CNC(=O)CC1CSCCN1
InChIInChI=1S/C9H17N3O3S/c10-9(15)7(13)4-12-8(14)3-6-5-16-2-1-11-6/h6-7,11,13H,1-5H2,(H2,10,15)(H,12,14)
InChIKeyVBURGAMJMNFYKQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP-1.96
Rot. Bonds5

About 2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide

2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide (PubChem CID 106175845) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
PubChem CID106175845
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
SMILESNC(=O)C(O)CNC(=O)CC1CSCCN1
InChIInChI=1S/C9H17N3O3S/c10-9(15)7(13)4-12-8(14)3-6-5-16-2-1-11-6/h6-7,11,13H,1-5H2,(H2,10,15)(H,12,14)
InChIKeyVBURGAMJMNFYKQ-UHFFFAOYSA-N
XLogP-1.96
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936634
N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide
CID 106176913
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
CID 66421910
N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119942620
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807
N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420493
N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422108
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119942614
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-thiomorpholin-3-ylacetamide
CID 119937858

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide?
The IUPAC name of 2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide (CID 106175845) is 2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide is NC(=O)C(O)CNC(=O)CC1CSCCN1.
What is the InChIKey of 2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide?
The InChIKey is VBURGAMJMNFYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c10-9(15)7(13)4-12-8(14)3-6-5-16-2-1-11-6/h6-7,11,13H,1-5H2,(H2,10,15)(H,12,14).
What are the key properties of 2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide?
2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide has a molecular weight of 247.32 g/mol, XLogP of -1.96, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide is sourced from PubChem (CID 106175845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).