N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride

C15H25Cl2N3OS — CID 120505334

IUPACN-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride
SMILESC[C@@H](CN)NC(=O)C(c1ccccc1)N1CCSCC1.Cl.Cl
InChIInChI=1S/C15H23N3OS.2ClH/c1-12(11-16)17-15(19)14(13-5-3-2-4-6-13)18-7-9-20-10-8-18;;/h2-6,12,14H,7-11,16H2,1H3,(H,17,19);2*1H/t12-,14?;;/m0../s1
InChIKeyREHYOPYWKSWKPD-MRWARIEHSA-N
MW366.36 g/mol
LogP2.08
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride (PubChem CID 120505334) has the molecular formula C15H25Cl2N3OS and a molecular weight of 366.36 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride
PubChem CID120505334
Molecular FormulaC15H25Cl2N3OS
Molecular Weight366.36 g/mol
Exact Mass365.11
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride
SMILESC[C@@H](CN)NC(=O)C(c1ccccc1)N1CCSCC1.Cl.Cl
InChIInChI=1S/C15H23N3OS.2ClH/c1-12(11-16)17-15(19)14(13-5-3-2-4-6-13)18-7-9-20-10-8-18;;/h2-6,12,14H,7-11,16H2,1H3,(H,17,19);2*1H/t12-,14?;;/m0../s1
InChIKeyREHYOPYWKSWKPD-MRWARIEHSA-N
XLogP2.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
CID 120506442
N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119996171
N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119384567
N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119508146
methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate
CID 95967811
(2S)-1-(4-acetylpiperazin-1-yl)-2-phenyl-2-thiomorpholin-4-ylethanone
CID 95151755
N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 60587255
[2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate
CID 95635785
(2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 95293657
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47074211
(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 95282210
(2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 95302146

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride (CID 120505334) is N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride is C[C@@H](CN)NC(=O)C(c1ccccc1)N1CCSCC1.Cl.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride?
The InChIKey is REHYOPYWKSWKPD-MRWARIEHSA-N. The full InChI is InChI=1S/C15H23N3OS.2ClH/c1-12(11-16)17-15(19)14(13-5-3-2-4-6-13)18-7-9-20-10-8-18;;/h2-6,12,14H,7-11,16H2,1H3,(H,17,19);2*1H/t12-,14?;;/m0../s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride has a molecular weight of 366.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride is sourced from PubChem (CID 120505334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).