N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine

C12H16N2S — CID 116999126

IUPACN-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine
SMILESc1cc2c(cc1CNC1CC1)NCCS2
InChIInChI=1S/C12H16N2S/c1-4-12-11(13-5-6-15-12)7-9(1)8-14-10-2-3-10/h1,4,7,10,13-14H,2-3,5-6,8H2
InChIKeyZIBKNBLBTXICIE-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.46
Rot. Bonds3

About N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine

N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine (PubChem CID 116999126) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine
PubChem CID116999126
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine
SMILESc1cc2c(cc1CNC1CC1)NCCS2
InChIInChI=1S/C12H16N2S/c1-4-12-11(13-5-6-15-12)7-9(1)8-14-10-2-3-10/h1,4,7,10,13-14H,2-3,5-6,8H2
InChIKeyZIBKNBLBTXICIE-UHFFFAOYSA-N
XLogP2.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol
CID 116999268
3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)propane-1-thiol
CID 116999259
3-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)-2,2-dimethylpropanenitrile
CID 116999263
6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 116999243
N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine
CID 115118884
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine
CID 61151262
3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine
CID 116999266
6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one
CID 82480367
7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 116998930
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
CID 83706075
N-(naphthalen-2-ylmethyl)cyclopropanamine;hydrochloride
CID 67542592
N-(quinolin-6-ylmethyl)thian-4-amine
CID 115615624

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine?
The IUPAC name of N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine (CID 116999126) is N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine is c1cc2c(cc1CNC1CC1)NCCS2.
What is the InChIKey of N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine?
The InChIKey is ZIBKNBLBTXICIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-4-12-11(13-5-6-15-12)7-9(1)8-14-10-2-3-10/h1,4,7,10,13-14H,2-3,5-6,8H2.
What are the key properties of N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine?
N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine has a molecular weight of 220.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclopropanamine is sourced from PubChem (CID 116999126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).