2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol

C10H14N2OS — CID 116998988

IUPAC2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol
SMILESNC(CO)c1ccc2c(c1)SCCN2
InChIInChI=1S/C10H14N2OS/c11-8(6-13)7-1-2-9-10(5-7)14-4-3-12-9/h1-2,5,8,12-13H,3-4,6,11H2
InChIKeyALFIQNQVZPZRDO-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.20
Rot. Bonds2

About 2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol

2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol (PubChem CID 116998988) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol
PubChem CID116998988
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol
SMILESNC(CO)c1ccc2c(c1)SCCN2
InChIInChI=1S/C10H14N2OS/c11-8(6-13)7-1-2-9-10(5-7)14-4-3-12-9/h1-2,5,8,12-13H,3-4,6,11H2
InChIKeyALFIQNQVZPZRDO-UHFFFAOYSA-N
XLogP1.20
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)propanoic acid
CID 116998950
2-amino-3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propan-1-ol
CID 116999271
2-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)butan-1-ol
CID 116999090
3-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)-2-methylpropanoic acid
CID 116998953
3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid
CID 11389961
[1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine
CID 116998995
2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-3-methylbutan-1-amine
CID 116999217
3-amino-3-(2,3-dihydro-1H-indol-5-yl)propan-1-ol
CID 55297643
3,4-dihydro-2H-1,4-benzothiazine-7-carbaldehyde
CID 116998957
3-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)aniline
CID 116998933
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol?
The IUPAC name of 2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol (CID 116998988) is 2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol.
What is the SMILES notation for 2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol?
The canonical SMILES for 2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol is NC(CO)c1ccc2c(c1)SCCN2.
What is the InChIKey of 2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol?
The InChIKey is ALFIQNQVZPZRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c11-8(6-13)7-1-2-9-10(5-7)14-4-3-12-9/h1-2,5,8,12-13H,3-4,6,11H2.
What are the key properties of 2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol?
2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol has a molecular weight of 210.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol is sourced from PubChem (CID 116998988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).