N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide

C17H24N2O3S — CID 119937483

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide
SMILESCCC(NC(=O)CC1CSCCN1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H24N2O3S/c1-2-14(19-17(20)10-13-11-23-8-5-18-13)12-3-4-15-16(9-12)22-7-6-21-15/h3-4,9,13-14,18H,2,5-8,10-11H2,1H3,(H,19,20)
InChIKeyUBMBKQOACFVPAV-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.12
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119937483) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119937483
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide
SMILESCCC(NC(=O)CC1CSCCN1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H24N2O3S/c1-2-14(19-17(20)10-13-11-23-8-5-18-13)12-3-4-15-16(9-12)22-7-6-21-15/h3-4,9,13-14,18H,2,5-8,10-11H2,1H3,(H,19,20)
InChIKeyUBMBKQOACFVPAV-UHFFFAOYSA-N
XLogP2.12
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide (CID 119937483) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide is CCC(NC(=O)CC1CSCCN1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is UBMBKQOACFVPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-2-14(19-17(20)10-13-11-23-8-5-18-13)12-3-4-15-16(9-12)22-7-6-21-15/h3-4,9,13-14,18H,2,5-8,10-11H2,1H3,(H,19,20).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 336.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).