2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one

C14H19N3OS — CID 84616440

IUPAC2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one
SMILESCC1Sc2ccccc2N(CN2CCNCC2)C1=O
InChIInChI=1S/C14H19N3OS/c1-11-14(18)17(10-16-8-6-15-7-9-16)12-4-2-3-5-13(12)19-11/h2-5,11,15H,6-10H2,1H3
InChIKeyLTCPOGNRWJMULY-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.38
Rot. Bonds2

About 2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one

2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one (PubChem CID 84616440) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one
PubChem CID84616440
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one
SMILESCC1Sc2ccccc2N(CN2CCNCC2)C1=O
InChIInChI=1S/C14H19N3OS/c1-11-14(18)17(10-16-8-6-15-7-9-16)12-4-2-3-5-13(12)19-11/h2-5,11,15H,6-10H2,1H3
InChIKeyLTCPOGNRWJMULY-UHFFFAOYSA-N
XLogP1.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one?
The IUPAC name of 2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one (CID 84616440) is 2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one?
The canonical SMILES for 2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one is CC1Sc2ccccc2N(CN2CCNCC2)C1=O.
What is the InChIKey of 2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one?
The InChIKey is LTCPOGNRWJMULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11-14(18)17(10-16-8-6-15-7-9-16)12-4-2-3-5-13(12)19-11/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one?
2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one has a molecular weight of 277.39 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(piperazin-1-ylmethyl)-1,4-benzothiazin-3-one is sourced from PubChem (CID 84616440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).