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

C14H20N2O3S — CID 110865728

IUPAC4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
SMILESCC1CCCN(S(=O)(=O)N2CCOc3ccccc32)C1
InChIInChI=1S/C14H20N2O3S/c1-12-5-4-8-15(11-12)20(17,18)16-9-10-19-14-7-3-2-6-13(14)16/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyNQXQNMBJJMOBKP-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.86
Rot. Bonds2

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

4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 110865728) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
PubChem CID110865728
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
SMILESCC1CCCN(S(=O)(=O)N2CCOc3ccccc32)C1
InChIInChI=1S/C14H20N2O3S/c1-12-5-4-8-15(11-12)20(17,18)16-9-10-19-14-7-3-2-6-13(14)16/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyNQXQNMBJJMOBKP-UHFFFAOYSA-N
XLogP1.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dimethyl-4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 136549739
1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865729
4,6-dimethyl-7-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 22550823
1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine
CID 99817972
4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane]
CID 102558277
6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 139004725
1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine
CID 75872723
(3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 94021508
4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)aniline
CID 61112339
4-(furan-3-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine
CID 154757419
6-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 16764920
2-[(3S)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132830

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine (CID 110865728) is 4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine is CC1CCCN(S(=O)(=O)N2CCOc3ccccc32)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is NQXQNMBJJMOBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-12-5-4-8-15(11-12)20(17,18)16-9-10-19-14-7-3-2-6-13(14)16/h2-3,6-7,12H,4-5,8-11H2,1H3.
What are the key properties of 4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine?
4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 296.39 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 110865728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).