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

C16H24N2O3S2 — CID 119936943

IUPACN-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H24N2O3S2/c19-16(11-15-12-22-9-8-17-15)18-7-4-10-23(20,21)13-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-13H2,(H,18,19)
InChIKeyISFQKRJQVFWNER-UHFFFAOYSA-N
MW356.51 g/mol
LogP1.20
Rot. Bonds8

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

N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119936943) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide
PubChem CID119936943
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC NameN-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H24N2O3S2/c19-16(11-15-12-22-9-8-17-15)18-7-4-10-23(20,21)13-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-13H2,(H,18,19)
InChIKeyISFQKRJQVFWNER-UHFFFAOYSA-N
XLogP1.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
CID 119941694
N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937369
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
4-[2-[(2-thiomorpholin-3-ylacetyl)amino]ethyl]benzoic acid
CID 66422869
N-(3-indol-1-ylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119940745
N-[3-(2-methylphenoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938657
N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938649
N-[2-(N-methylanilino)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940895
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66423074
N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320
N-[3-(4-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937471

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide (CID 119936943) is N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCCCS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is ISFQKRJQVFWNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c19-16(11-15-12-22-9-8-17-15)18-7-4-10-23(20,21)13-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-13H2,(H,18,19).
What are the key properties of N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide?
N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 356.51 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119936943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).