[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

C16H16N2OS — CID 61260592

IUPAC[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESNCc1ccc(C(=O)N2CCSc3ccccc32)cc1
InChIInChI=1S/C16H16N2OS/c17-11-12-5-7-13(8-6-12)16(19)18-9-10-20-15-4-2-1-3-14(15)18/h1-8H,9-11,17H2
InChIKeyNGJQEICANYXRIE-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.90
Rot. Bonds2

About [4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 61260592) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID61260592
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESNCc1ccc(C(=O)N2CCSc3ccccc32)cc1
InChIInChI=1S/C16H16N2OS/c17-11-12-5-7-13(8-6-12)16(19)18-9-10-20-15-4-2-1-3-14(15)18/h1-8H,9-11,17H2
InChIKeyNGJQEICANYXRIE-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 61260592) is [4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is NCc1ccc(C(=O)N2CCSc3ccccc32)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is NGJQEICANYXRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c17-11-12-5-7-13(8-6-12)16(19)18-9-10-20-15-4-2-1-3-14(15)18/h1-8H,9-11,17H2.
What are the key properties of [4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone has a molecular weight of 284.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 61260592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).