N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide

C16H25N3OS — CID 119996171

IUPACN-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCC(CN)CNC(=O)C(c1ccccc1)N1CCSCC1
InChIInChI=1S/C16H25N3OS/c1-13(11-17)12-18-16(20)15(14-5-3-2-4-6-14)19-7-9-21-10-8-19/h2-6,13,15H,7-12,17H2,1H3,(H,18,20)
InChIKeyPVTLDBABXJBBOB-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.49
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide

N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide (PubChem CID 119996171) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
PubChem CID119996171
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCC(CN)CNC(=O)C(c1ccccc1)N1CCSCC1
InChIInChI=1S/C16H25N3OS/c1-13(11-17)12-18-16(20)15(14-5-3-2-4-6-14)19-7-9-21-10-8-19/h2-6,13,15H,7-12,17H2,1H3,(H,18,20)
InChIKeyPVTLDBABXJBBOB-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119384567
N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride
CID 120505334
N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119508146
(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
[2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate
CID 95635785
2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 51099897
(2S)-2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 94819164
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 94821206
(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
N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide
CID 119995886

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide (CID 119996171) is N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide is CC(CN)CNC(=O)C(c1ccccc1)N1CCSCC1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide?
The InChIKey is PVTLDBABXJBBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-13(11-17)12-18-16(20)15(14-5-3-2-4-6-14)19-7-9-21-10-8-19/h2-6,13,15H,7-12,17H2,1H3,(H,18,20).
What are the key properties of N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide?
N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide has a molecular weight of 307.46 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 119996171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).