8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine

C24H26N2O4S — CID 69438190

IUPAC8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine
SMILESCOc1cccc2c1N(C1CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)COC2
InChIInChI=1S/C24H26N2O4S/c1-29-23-8-4-7-20-16-30-17-26(24(20)23)21-11-13-25(14-12-21)31(27,28)22-10-9-18-5-2-3-6-19(18)15-22/h2-10,15,21H,11-14,16-17H2,1H3
InChIKeyVRJVZHJBLHNDOY-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.00
Rot. Bonds4

About 8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine

8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine (PubChem CID 69438190) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine.

Molecular Properties

Compound Name8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine
PubChem CID69438190
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine
SMILESCOc1cccc2c1N(C1CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)COC2
InChIInChI=1S/C24H26N2O4S/c1-29-23-8-4-7-20-16-30-17-26(24(20)23)21-11-13-25(14-12-21)31(27,28)22-10-9-18-5-2-3-6-19(18)15-22/h2-10,15,21H,11-14,16-17H2,1H3
InChIKeyVRJVZHJBLHNDOY-UHFFFAOYSA-N
XLogP4.00
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-2,4-dihydro-3,1-benzoxazine
CID 91246890
1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine
CID 69442939
1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-8-methyl-2,4-dihydro-3,1-benzoxazine
CID 142998494
8-methyl-1-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine
CID 69434596
8-methoxy-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 68527761
(2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine
CID 1333651
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 26534447
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
N-[2-(2-methoxyphenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26181194
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
6-methyl-1-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine
CID 69440585

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine?
The IUPAC name of 8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine (CID 69438190) is 8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine.
What is the SMILES notation for 8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine?
The canonical SMILES for 8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine is COc1cccc2c1N(C1CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)COC2.
What is the InChIKey of 8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine?
The InChIKey is VRJVZHJBLHNDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-29-23-8-4-7-20-16-30-17-26(24(20)23)21-11-13-25(14-12-21)31(27,28)22-10-9-18-5-2-3-6-19(18)15-22/h2-10,15,21H,11-14,16-17H2,1H3.
What are the key properties of 8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine?
8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine has a molecular weight of 438.55 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-2,4-dihydro-3,1-benzoxazine is sourced from PubChem (CID 69438190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).