4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine

C14H20N2O3S — CID 141196357

IUPAC4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine
SMILESCN1CCOc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C14H20N2O3S/c1-15-9-10-19-14-11-12(5-6-13(14)15)20(17,18)16-7-3-2-4-8-16/h5-6,11H,2-4,7-10H2,1H3
InChIKeySPUGYCDWZZWCKK-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.69
Rot. Bonds2

About 4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine

4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 141196357) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine
PubChem CID141196357
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine
SMILESCN1CCOc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C14H20N2O3S/c1-15-9-10-19-14-11-12(5-6-13(14)15)20(17,18)16-7-3-2-4-8-16/h5-6,11H,2-4,7-10H2,1H3
InChIKeySPUGYCDWZZWCKK-UHFFFAOYSA-N
XLogP1.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 58702059
N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]cyclopentanecarboxamide
CID 140520706
7-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 7210577
6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82098760
4-methyl-7-[[6-(4-methylpiperazin-1-yl)-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1,4-benzoxazine
CID 71082007
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 69448838
5-(azepan-1-ylsulfonyl)-2-pyrrolidin-1-ylaniline
CID 28796027
3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzenesulfonamide
CID 110639725
1-(2,2-dimethylpropyl)-3-methyl-5-[1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]piperidin-3-yl]imidazo[4,5-b]pyridin-2-one
CID 71116918
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110639743
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbaldehyde
CID 110757540
methyl (2S,4R)-4-hydroxy-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]piperidine-2-carboxylate
CID 133121013

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine (CID 141196357) is 4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine is CN1CCOc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is SPUGYCDWZZWCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-15-9-10-19-14-11-12(5-6-13(14)15)20(17,18)16-7-3-2-4-8-16/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine?
4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 296.39 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 141196357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).