1-(2-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

C16H22N2O3S2 — CID 22550720

IUPAC1-(2-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESCC(=O)N1CC(C)Sc2ccc(S(=O)(=O)N3CCCCC3)cc21
InChIInChI=1S/C16H22N2O3S2/c1-12-11-18(13(2)19)15-10-14(6-7-16(15)22-12)23(20,21)17-8-4-3-5-9-17/h6-7,10,12H,3-5,8-9,11H2,1-2H3
InChIKeyUQARCQFUQKJFPE-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.71
Rot. Bonds2

About 1-(2-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

1-(2-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (PubChem CID 22550720) has the molecular formula C16H22N2O3S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-(2-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
PubChem CID22550720
Molecular FormulaC16H22N2O3S2
Molecular Weight354.50 g/mol
Exact Mass354.11
IUPAC Name1-(2-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESCC(=O)N1CC(C)Sc2ccc(S(=O)(=O)N3CCCCC3)cc21
InChIInChI=1S/C16H22N2O3S2/c1-12-11-18(13(2)19)15-10-14(6-7-16(15)22-12)23(20,21)17-8-4-3-5-9-17/h6-7,10,12H,3-5,8-9,11H2,1-2H3
InChIKeyUQARCQFUQKJFPE-UHFFFAOYSA-N
XLogP2.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The IUPAC name of 1-(2-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (CID 22550720) is 1-(2-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The canonical SMILES for 1-(2-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is CC(=O)N1CC(C)Sc2ccc(S(=O)(=O)N3CCCCC3)cc21.
What is the InChIKey of 1-(2-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The InChIKey is UQARCQFUQKJFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S2/c1-12-11-18(13(2)19)15-10-14(6-7-16(15)22-12)23(20,21)17-8-4-3-5-9-17/h6-7,10,12H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-(2-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
1-(2-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone has a molecular weight of 354.50 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is sourced from PubChem (CID 22550720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).