2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine

C14H22N2S — CID 91378467

IUPAC2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine
SMILESCc1ccc2c(c1)SCC(C)N2CCN(C)C
InChIInChI=1S/C14H22N2S/c1-11-5-6-13-14(9-11)17-10-12(2)16(13)8-7-15(3)4/h5-6,9,12H,7-8,10H2,1-4H3
InChIKeyZTZPIEKVZGZAGZ-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.86
Rot. Bonds3

About 2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine

2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine (PubChem CID 91378467) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine
PubChem CID91378467
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine
SMILESCc1ccc2c(c1)SCC(C)N2CCN(C)C
InChIInChI=1S/C14H22N2S/c1-11-5-6-13-14(9-11)17-10-12(2)16(13)8-7-15(3)4/h5-6,9,12H,7-8,10H2,1-4H3
InChIKeyZTZPIEKVZGZAGZ-UHFFFAOYSA-N
XLogP2.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine (CID 91378467) is 2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine is Cc1ccc2c(c1)SCC(C)N2CCN(C)C.
What is the InChIKey of 2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine?
The InChIKey is ZTZPIEKVZGZAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11-5-6-13-14(9-11)17-10-12(2)16(13)8-7-15(3)4/h5-6,9,12H,7-8,10H2,1-4H3.
What are the key properties of 2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine?
2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine has a molecular weight of 250.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 91378467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).