4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine

C16H24N2O3S — CID 22550823

IUPAC4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1cc2c(cc1S(=O)(=O)N1CCCC(C)C1)OCCN2C
InChIInChI=1S/C16H24N2O3S/c1-12-5-4-6-18(11-12)22(19,20)16-10-15-14(9-13(16)2)17(3)7-8-21-15/h9-10,12H,4-8,11H2,1-3H3
InChIKeyOVUIEGDKGOLMFV-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.24
Rot. Bonds2

About 4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine

4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 22550823) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
PubChem CID22550823
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1cc2c(cc1S(=O)(=O)N1CCCC(C)C1)OCCN2C
InChIInChI=1S/C16H24N2O3S/c1-12-5-4-6-18(11-12)22(19,20)16-10-15-14(9-13(16)2)17(3)7-8-21-15/h9-10,12H,4-8,11H2,1-3H3
InChIKeyOVUIEGDKGOLMFV-UHFFFAOYSA-N
XLogP2.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 22550805
N-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 6624226
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185
4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110865728
6,8-dimethyl-4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 136549739
(3R)-1-(2,5-dimethyl-3-methylsulfonylphenyl)sulfonyl-3-methylpiperidine
CID 95156648
1,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione
CID 7196398
(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine
CID 27210471
4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 141196357
2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43110377
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
1-[6-methyl-7-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 46287344

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine (CID 22550823) is 4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine is Cc1cc2c(cc1S(=O)(=O)N1CCCC(C)C1)OCCN2C.
What is the InChIKey of 4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is OVUIEGDKGOLMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-5-4-6-18(11-12)22(19,20)16-10-15-14(9-13(16)2)17(3)7-8-21-15/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 324.45 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 22550823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).