N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide

C15H23N3OS — CID 119941694

IUPACN-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCCNc1ccccc1
InChIInChI=1S/C15H23N3OS/c19-15(11-14-12-20-10-9-17-14)18-8-4-7-16-13-5-2-1-3-6-13/h1-3,5-6,14,16-17H,4,7-12H2,(H,18,19)
InChIKeyKQOWZGURYYGWRC-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.70
Rot. Bonds7

About N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide

N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119941694) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
PubChem CID119941694
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCCNc1ccccc1
InChIInChI=1S/C15H23N3OS/c19-15(11-14-12-20-10-9-17-14)18-8-4-7-16-13-5-2-1-3-6-13/h1-3,5-6,14,16-17H,4,7-12H2,(H,18,19)
InChIKeyKQOWZGURYYGWRC-UHFFFAOYSA-N
XLogP1.70
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320
N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119936943
N-[3-(2-methylphenoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938657
N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937369
3-fluoro-N-[3-[(2-thiomorpholin-3-ylacetyl)amino]propyl]benzamide
CID 119939089
N-[2-(N-methylanilino)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940895
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
N-(4-chlorophenyl)-4-[(2-thiomorpholin-3-ylacetyl)amino]butanamide
CID 119937332
N-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119940745
4-[2-[(2-thiomorpholin-3-ylacetyl)amino]ethyl]benzoic acid
CID 66422869
N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938649
N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119938875

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide (CID 119941694) is N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCCCNc1ccccc1.
What is the InChIKey of N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is KQOWZGURYYGWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c19-15(11-14-12-20-10-9-17-14)18-8-4-7-16-13-5-2-1-3-6-13/h1-3,5-6,14,16-17H,4,7-12H2,(H,18,19).
What are the key properties of N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide?
N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 293.44 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119941694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).