3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine

C13H20N2S — CID 84628593

IUPAC3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine
SMILESCc1ccc2c(c1)N(CCCN)CC(C)S2
InChIInChI=1S/C13H20N2S/c1-10-4-5-13-12(8-10)15(7-3-6-14)9-11(2)16-13/h4-5,8,11H,3,6-7,9,14H2,1-2H3
InChIKeyMJIYAKXNUNXXOU-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.64
Rot. Bonds3

About 3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine

3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine (PubChem CID 84628593) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine
PubChem CID84628593
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine
SMILESCc1ccc2c(c1)N(CCCN)CC(C)S2
InChIInChI=1S/C13H20N2S/c1-10-4-5-13-12(8-10)15(7-3-6-14)9-11(2)16-13/h4-5,8,11H,3,6-7,9,14H2,1-2H3
InChIKeyMJIYAKXNUNXXOU-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine?
The IUPAC name of 3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine (CID 84628593) is 3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine.
What is the SMILES notation for 3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine?
The canonical SMILES for 3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine is Cc1ccc2c(c1)N(CCCN)CC(C)S2.
What is the InChIKey of 3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine?
The InChIKey is MJIYAKXNUNXXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10-4-5-13-12(8-10)15(7-3-6-14)9-11(2)16-13/h4-5,8,11H,3,6-7,9,14H2,1-2H3.
What are the key properties of 3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine?
3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine has a molecular weight of 236.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine is sourced from PubChem (CID 84628593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).