3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine

C13H20N2S — CID 84628515

IUPAC3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
SMILESCCc1cccc2c1NC(CCCN)CS2
InChIInChI=1S/C13H20N2S/c1-2-10-5-3-7-12-13(10)15-11(9-16-12)6-4-8-14/h3,5,7,11,15H,2,4,6,8-9,14H2,1H3
InChIKeyFQYGSKOIGKZCON-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.87
Rot. Bonds4

About 3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine

3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine (PubChem CID 84628515) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
PubChem CID84628515
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
SMILESCCc1cccc2c1NC(CCCN)CS2
InChIInChI=1S/C13H20N2S/c1-2-10-5-3-7-12-13(10)15-11(9-16-12)6-4-8-14/h3,5,7,11,15H,2,4,6,8-9,14H2,1H3
InChIKeyFQYGSKOIGKZCON-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619205
3-tert-butyl-5-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84628238
N-methyl-3-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628505
3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol
CID 84625319
(5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine
CID 84637559
(3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine
CID 115095816
2-(5-tert-butyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
CID 84634436
2-(5-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylethanamine
CID 84630665
5-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84618476
3-(5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propanenitrile
CID 84643174
3-(5,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol
CID 84628958
3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 84639547

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine?
The IUPAC name of 3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine (CID 84628515) is 3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine?
The canonical SMILES for 3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine is CCc1cccc2c1NC(CCCN)CS2.
What is the InChIKey of 3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine?
The InChIKey is FQYGSKOIGKZCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-2-10-5-3-7-12-13(10)15-11(9-16-12)6-4-8-14/h3,5,7,11,15H,2,4,6,8-9,14H2,1H3.
What are the key properties of 3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine?
3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine has a molecular weight of 236.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine is sourced from PubChem (CID 84628515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).