N-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide

C15H20N2O5S — CID 110687848

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
SMILESO=C(CCN1CCCCS1(=O)=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O5S/c18-15(5-7-17-6-1-2-8-23(17,19)20)16-10-12-3-4-13-14(9-12)22-11-21-13/h3-4,9H,1-2,5-8,10-11H2,(H,16,18)
InChIKeyLVJZOGHGDJRJPN-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.85
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide (PubChem CID 110687848) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
PubChem CID110687848
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
SMILESO=C(CCN1CCCCS1(=O)=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O5S/c18-15(5-7-17-6-1-2-8-23(17,19)20)16-10-12-3-4-13-14(9-12)22-11-21-13/h3-4,9H,1-2,5-8,10-11H2,(H,16,18)
InChIKeyLVJZOGHGDJRJPN-UHFFFAOYSA-N
XLogP0.85
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylguanidine
CID 111846163
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82134263
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide
CID 3238528
3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 110687852
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9036242
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 9452818
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18108119
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide
CID 42764530
N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299793
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109022602

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide (CID 110687848) is N-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide is O=C(CCN1CCCCS1(=O)=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide?
The InChIKey is LVJZOGHGDJRJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c18-15(5-7-17-6-1-2-8-23(17,19)20)16-10-12-3-4-13-14(9-12)22-11-21-13/h3-4,9H,1-2,5-8,10-11H2,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide has a molecular weight of 340.40 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide is sourced from PubChem (CID 110687848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).