N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide

C16H23N3O5S — CID 110343242

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
SMILESCN1CCN(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C16H23N3O5S/c1-18-5-7-19(8-6-18)25(21,22)11-4-16(20)17-13-2-3-14-15(12-13)24-10-9-23-14/h2-3,12H,4-11H2,1H3,(H,17,20)
InChIKeyWYDNSDRBOFDSJJ-UHFFFAOYSA-N
MW369.44 g/mol
LogP0.36
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide (PubChem CID 110343242) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
PubChem CID110343242
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
SMILESCN1CCN(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C16H23N3O5S/c1-18-5-7-19(8-6-18)25(21,22)11-4-16(20)17-13-2-3-14-15(12-13)24-10-9-23-14/h2-3,12H,4-11H2,1H3,(H,17,20)
InChIKeyWYDNSDRBOFDSJJ-UHFFFAOYSA-N
XLogP0.36
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110863362
N-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide
CID 110342798
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969590
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 704893
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-[(4-methylpiperazin-1-yl)methyl]-4-oxobutanoic acid
CID 52996810
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 16830440
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfonylpropanamide
CID 50848356
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30957498
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
CID 60702830
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 26252535

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide (CID 110343242) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide is CN1CCN(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
The InChIKey is WYDNSDRBOFDSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-18-5-7-19(8-6-18)25(21,22)11-4-16(20)17-13-2-3-14-15(12-13)24-10-9-23-14/h2-3,12H,4-11H2,1H3,(H,17,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide has a molecular weight of 369.44 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide is sourced from PubChem (CID 110343242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).