2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol

C11H16N2OS — CID 116999271

IUPAC2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol
SMILESNC(CO)Cc1ccc2c(c1)NCCS2
InChIInChI=1S/C11H16N2OS/c12-9(7-14)5-8-1-2-11-10(6-8)13-3-4-15-11/h1-2,6,9,13-14H,3-5,7,12H2
InChIKeyQREGAYDVYIAULJ-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.07
Rot. Bonds3

About 2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol

2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol (PubChem CID 116999271) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol
PubChem CID116999271
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol
SMILESNC(CO)Cc1ccc2c(c1)NCCS2
InChIInChI=1S/C11H16N2OS/c12-9(7-14)5-8-1-2-11-10(6-8)13-3-4-15-11/h1-2,6,9,13-14H,3-5,7,12H2
InChIKeyQREGAYDVYIAULJ-UHFFFAOYSA-N
XLogP1.07
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol (CID 116999271) is 2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol is NC(CO)Cc1ccc2c(c1)NCCS2.
What is the InChIKey of 2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol?
The InChIKey is QREGAYDVYIAULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-9(7-14)5-8-1-2-11-10(6-8)13-3-4-15-11/h1-2,6,9,13-14H,3-5,7,12H2.
What are the key properties of 2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol?
2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol has a molecular weight of 224.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol is sourced from PubChem (CID 116999271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).