N,N-dimethyl-3-(2-methylpyrazino[2,3-b][1,4]benzothiazin-10-yl)propan-1-amine

C16H20N4S — CID 12858142

IUPACN,N-dimethyl-3-(2-methylpyrazino[2,3-b][1,4]benzothiazin-10-yl)propan-1-amine
SMILESCc1cnc2c(n1)N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C16H20N4S/c1-12-11-17-16-15(18-12)20(10-6-9-19(2)3)13-7-4-5-8-14(13)21-16/h4-5,7-8,11H,6,9-10H2,1-3H3
InChIKeyLBKYKBBJMJQOCX-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.34
Rot. Bonds4

About N,N-dimethyl-3-(2-methylpyrazino[2,3-b][1,4]benzothiazin-10-yl)propan-1-amine

N,N-dimethyl-3-(2-methylpyrazino[2,3-b][1,4]benzothiazin-10-yl)propan-1-amine (PubChem CID 12858142) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methylpyrazino[2,3-b][1,4]benzothiazin-10-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methylpyrazino[2,3-b][1,4]benzothiazin-10-yl)propan-1-amine
PubChem CID12858142
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC NameN,N-dimethyl-3-(2-methylpyrazino[2,3-b][1,4]benzothiazin-10-yl)propan-1-amine
SMILESCc1cnc2c(n1)N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C16H20N4S/c1-12-11-17-16-15(18-12)20(10-6-9-19(2)3)13-7-4-5-8-14(13)21-16/h4-5,7-8,11H,6,9-10H2,1-3H3
InChIKeyLBKYKBBJMJQOCX-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methylpyrazino[2,3-b][1,4]benzothiazin-10-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-methylpyrazino[2,3-b][1,4]benzothiazin-10-yl)propan-1-amine (CID 12858142) is N,N-dimethyl-3-(2-methylpyrazino[2,3-b][1,4]benzothiazin-10-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-methylpyrazino[2,3-b][1,4]benzothiazin-10-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-methylpyrazino[2,3-b][1,4]benzothiazin-10-yl)propan-1-amine is Cc1cnc2c(n1)N(CCCN(C)C)c1ccccc1S2.
What is the InChIKey of N,N-dimethyl-3-(2-methylpyrazino[2,3-b][1,4]benzothiazin-10-yl)propan-1-amine?
The InChIKey is LBKYKBBJMJQOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-12-11-17-16-15(18-12)20(10-6-9-19(2)3)13-7-4-5-8-14(13)21-16/h4-5,7-8,11H,6,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(2-methylpyrazino[2,3-b][1,4]benzothiazin-10-yl)propan-1-amine?
N,N-dimethyl-3-(2-methylpyrazino[2,3-b][1,4]benzothiazin-10-yl)propan-1-amine has a molecular weight of 300.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methylpyrazino[2,3-b][1,4]benzothiazin-10-yl)propan-1-amine is sourced from PubChem (CID 12858142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).