2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide

C13H17N3O2S — CID 119309628

IUPAC2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
SMILESNCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1
InChIInChI=1S/C13H17N3O2S/c14-9-12(17)15-11-3-1-2-10(8-11)13(18)16-4-6-19-7-5-16/h1-3,8H,4-7,9,14H2,(H,15,17)
InChIKeyIKZANZASXDGRMQ-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.77
Rot. Bonds3

About 2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide

2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide (PubChem CID 119309628) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
PubChem CID119309628
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
SMILESNCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1
InChIInChI=1S/C13H17N3O2S/c14-9-12(17)15-11-3-1-2-10(8-11)13(18)16-4-6-19-7-5-16/h1-3,8H,4-7,9,14H2,(H,15,17)
InChIKeyIKZANZASXDGRMQ-UHFFFAOYSA-N
XLogP0.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
CID 120561677
4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride
CID 120590833
1-[2-oxo-2-[3-(thiomorpholine-4-carbonyl)anilino]ethyl]cyclopentane-1-carboxylic acid
CID 56800512
2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119309623
2-[bis(2-methylpropyl)amino]-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 52855772
1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea
CID 49284029
2-(aminomethyl)-N-[3-(thiomorpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119759636
(2S)-2-amino-4-methylsulfanyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide
CID 119309634
(3-aminophenyl)-thiomorpholin-4-ylmethanone
CID 28786527
5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 55868816
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide (CID 119309628) is 2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide is NCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1.
What is the InChIKey of 2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is IKZANZASXDGRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c14-9-12(17)15-11-3-1-2-10(8-11)13(18)16-4-6-19-7-5-16/h1-3,8H,4-7,9,14H2,(H,15,17).
What are the key properties of 2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide?
2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 279.37 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 119309628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).