2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine

C14H20N2O3S — CID 82098781

IUPAC2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1CNc2cc(S(=O)(=O)N3CCCCC3)ccc2O1
InChIInChI=1S/C14H20N2O3S/c1-11-10-15-13-9-12(5-6-14(13)19-11)20(17,18)16-7-3-2-4-8-16/h5-6,9,11,15H,2-4,7-8,10H2,1H3
InChIKeyKYISFOCDJLJSAH-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.05
Rot. Bonds2

About 2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine

2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82098781) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82098781
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1CNc2cc(S(=O)(=O)N3CCCCC3)ccc2O1
InChIInChI=1S/C14H20N2O3S/c1-11-10-15-13-9-12(5-6-14(13)19-11)20(17,18)16-7-3-2-4-8-16/h5-6,9,11,15H,2-4,7-8,10H2,1H3
InChIKeyKYISFOCDJLJSAH-UHFFFAOYSA-N
XLogP2.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-methylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
CID 80503022
6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82098760
6-(azepan-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one
CID 22548236
(2S)-7-(azepan-1-ylsulfonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 124854790
2,2-dimethyl-6-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1,4-benzoxazine
CID 82098784
(3R)-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfonyl]piperidine-3-carboxylic acid
CID 92863909
2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one
CID 110759488
2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 43014031
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20949437
2-methyl-6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one
CID 22550140
(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)boronic acid
CID 167718558

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine (CID 82098781) is 2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine is CC1CNc2cc(S(=O)(=O)N3CCCCC3)ccc2O1.
What is the InChIKey of 2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is KYISFOCDJLJSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-10-15-13-9-12(5-6-14(13)19-11)20(17,18)16-7-3-2-4-8-16/h5-6,9,11,15H,2-4,7-8,10H2,1H3.
What are the key properties of 2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine?
2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 296.39 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82098781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).