N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide

C15H23N3OS — CID 106325114

IUPACN-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
SMILESCC(NCCN1CCSCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H23N3OS/c1-13(15(19)17-14-5-3-2-4-6-14)16-7-8-18-9-11-20-12-10-18/h2-6,13,16H,7-12H2,1H3,(H,17,19)
InChIKeyVZIUWLZZOSORCO-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.65
Rot. Bonds6

About N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide

N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide (PubChem CID 106325114) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide.

Molecular Properties

Compound NameN-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
PubChem CID106325114
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
SMILESCC(NCCN1CCSCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H23N3OS/c1-13(15(19)17-14-5-3-2-4-6-14)16-7-8-18-9-11-20-12-10-18/h2-6,13,16H,7-12H2,1H3,(H,17,19)
InChIKeyVZIUWLZZOSORCO-UHFFFAOYSA-N
XLogP1.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325726
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
2-thiomorpholin-4-ylethyl N-phenylcarbamate
CID 102093124
1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 114173711
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 103813654
2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 106325255
ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate
CID 106325112
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
CID 119853604
3-amino-2-methyl-3-phenyl-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]propanamide;dihydrochloride
CID 119869844
2-(octylamino)-N-phenylpropanamide
CID 78914372
2-(3-cyclopropylpropylamino)-N-phenylpropanamide
CID 115638960
2-(benzylamino)-N-phenylpropanamide
CID 4877973

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide?
The IUPAC name of N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide (CID 106325114) is N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide.
What is the SMILES notation for N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide?
The canonical SMILES for N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide is CC(NCCN1CCSCC1)C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide?
The InChIKey is VZIUWLZZOSORCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-13(15(19)17-14-5-3-2-4-6-14)16-7-8-18-9-11-20-12-10-18/h2-6,13,16H,7-12H2,1H3,(H,17,19).
What are the key properties of N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide?
N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide has a molecular weight of 293.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(2-thiomorpholin-4-ylethylamino)propanamide is sourced from PubChem (CID 106325114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).