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

C15H21N3O2S — CID 119938213

IUPAC2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
SMILESCC(NC(=O)CC1CSCCN1)(C(N)=O)c1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-15(14(16)20,11-5-3-2-4-6-11)18-13(19)9-12-10-21-8-7-17-12/h2-6,12,17H,7-10H2,1H3,(H2,16,20)(H,18,19)
InChIKeyPYSAYRKMMILETQ-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.60
Rot. Bonds5

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

2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide (PubChem CID 119938213) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide.

Molecular Properties

Compound Name2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
PubChem CID119938213
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
SMILESCC(NC(=O)CC1CSCCN1)(C(N)=O)c1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-15(14(16)20,11-5-3-2-4-6-11)18-13(19)9-12-10-21-8-7-17-12/h2-6,12,17H,7-10H2,1H3,(H2,16,20)(H,18,19)
InChIKeyPYSAYRKMMILETQ-UHFFFAOYSA-N
XLogP0.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
3-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 66420329
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 114155796
N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
CID 119941694
N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119936161
N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119938128
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119938942
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119939575
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
ethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride
CID 119938665
N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide
CID 119935796

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide?
The IUPAC name of 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide (CID 119938213) is 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide.
What is the SMILES notation for 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide?
The canonical SMILES for 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide is CC(NC(=O)CC1CSCCN1)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide?
The InChIKey is PYSAYRKMMILETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(14(16)20,11-5-3-2-4-6-11)18-13(19)9-12-10-21-8-7-17-12/h2-6,12,17H,7-10H2,1H3,(H2,16,20)(H,18,19).
What are the key properties of 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide?
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide has a molecular weight of 307.42 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide is sourced from PubChem (CID 119938213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).