1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine

C20H24N2O3S — CID 69442939

IUPAC1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine
SMILESCc1cccc(S(=O)(=O)N2CCC(N3COCc4ccccc43)CC2)c1
InChIInChI=1S/C20H24N2O3S/c1-16-5-4-7-19(13-16)26(23,24)21-11-9-18(10-12-21)22-15-25-14-17-6-2-3-8-20(17)22/h2-8,13,18H,9-12,14-15H2,1H3
InChIKeyXZRLYTWWEKJPIM-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.14
Rot. Bonds3

About 1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine

1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine (PubChem CID 69442939) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine.

Molecular Properties

Compound Name1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine
PubChem CID69442939
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine
SMILESCc1cccc(S(=O)(=O)N2CCC(N3COCc4ccccc43)CC2)c1
InChIInChI=1S/C20H24N2O3S/c1-16-5-4-7-19(13-16)26(23,24)21-11-9-18(10-12-21)22-15-25-14-17-6-2-3-8-20(17)22/h2-8,13,18H,9-12,14-15H2,1H3
InChIKeyXZRLYTWWEKJPIM-UHFFFAOYSA-N
XLogP3.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine
CID 69440585
1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]-6-methyl-2,4-dihydro-3,1-benzoxazine
CID 69437328
1-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine
CID 69435210
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-2,4-dihydro-3,1-benzoxazine
CID 91246890
1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-8-methyl-2,4-dihydro-3,1-benzoxazine
CID 142998494
6-bromo-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine
CID 91356685
8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine
CID 69438190
3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156763
1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 58792794
1-benzyl-4-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53084948
6-chloro-1-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine
CID 69437373
8-methyl-1-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine
CID 69434596

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine?
The IUPAC name of 1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine (CID 69442939) is 1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine.
What is the SMILES notation for 1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine?
The canonical SMILES for 1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine is Cc1cccc(S(=O)(=O)N2CCC(N3COCc4ccccc43)CC2)c1.
What is the InChIKey of 1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine?
The InChIKey is XZRLYTWWEKJPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-5-4-7-19(13-16)26(23,24)21-11-9-18(10-12-21)22-15-25-14-17-6-2-3-8-20(17)22/h2-8,13,18H,9-12,14-15H2,1H3.
What are the key properties of 1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine?
1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine has a molecular weight of 372.49 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine is sourced from PubChem (CID 69442939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).