1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea

C15H21N3O5S — CID 72865261

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCS(=O)(=O)N1CCC(NC(=O)Nc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C15H21N3O5S/c1-24(20,21)18-6-4-11(5-7-18)16-15(19)17-12-2-3-13-14(10-12)23-9-8-22-13/h2-3,10-11H,4-9H2,1H3,(H2,16,17,19)
InChIKeyKBBSWSPGWDHGQK-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.00
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea (PubChem CID 72865261) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
PubChem CID72865261
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCS(=O)(=O)N1CCC(NC(=O)Nc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C15H21N3O5S/c1-24(20,21)18-6-4-11(5-7-18)16-15(19)17-12-2-3-13-14(10-12)23-9-8-22-13/h2-3,10-11H,4-9H2,1H3,(H2,16,17,19)
InChIKeyKBBSWSPGWDHGQK-UHFFFAOYSA-N
XLogP1.00
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94779230
1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 24664745
1-(3-chloro-4-fluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 110706232
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonylpiperazine-1-carbothioamide
CID 17375172
1-cyclohexyl-3-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)urea
CID 110639829
1-cyclopropyl-3-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)urea
CID 45497278
4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine
CID 118566531
1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 24657976
N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide
CID 108966151
1-(1-methylsulfonylpiperidin-3-yl)-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylurea
CID 47745176
N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide
CID 3220948
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 95081246

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea (CID 72865261) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea is CS(=O)(=O)N1CCC(NC(=O)Nc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
The InChIKey is KBBSWSPGWDHGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-24(20,21)18-6-4-11(5-7-18)16-15(19)17-12-2-3-13-14(10-12)23-9-8-22-13/h2-3,10-11H,4-9H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea has a molecular weight of 355.42 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 72865261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).