1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine

C12H16N2S — CID 116999100

IUPAC1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine
SMILESNC1(Cc2ccc3c(c2)SCCN3)CC1
InChIInChI=1S/C12H16N2S/c13-12(3-4-12)8-9-1-2-10-11(7-9)15-6-5-14-10/h1-2,7,14H,3-6,8,13H2
InChIKeyFHPMQZPXELXYEK-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.24
Rot. Bonds2

About 1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine

1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine (PubChem CID 116999100) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine
PubChem CID116999100
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine
SMILESNC1(Cc2ccc3c(c2)SCCN3)CC1
InChIInChI=1S/C12H16N2S/c13-12(3-4-12)8-9-1-2-10-11(7-9)15-6-5-14-10/h1-2,7,14H,3-6,8,13H2
InChIKeyFHPMQZPXELXYEK-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclobutane-1-carbonitrile
CID 116999078
1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine
CID 116999077
[3-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)oxetan-3-yl]methanol
CID 116999086
[1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine
CID 116998995
2-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)butan-1-ol
CID 116999090
7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 116998930
3-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)-2-methylpropanoic acid
CID 116998953
3,4-dihydro-2H-1,4-benzothiazine-7-carbaldehyde
CID 116998957
1-[1-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 116999282
7-(2-pyrrolidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 116999039
2-amino-2-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)ethanol
CID 116998988
3-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)aniline
CID 116998933

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine (CID 116999100) is 1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine is NC1(Cc2ccc3c(c2)SCCN3)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine?
The InChIKey is FHPMQZPXELXYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c13-12(3-4-12)8-9-1-2-10-11(7-9)15-6-5-14-10/h1-2,7,14H,3-6,8,13H2.
What are the key properties of 1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine?
1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine has a molecular weight of 220.34 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 116999100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).