N,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine

C17H21N3S — CID 3051456

IUPACN,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
SMILESCC(CN(C)C)CN1c2ccccc2Sc2cccnc21
InChIInChI=1S/C17H21N3S/c1-13(11-19(2)3)12-20-14-7-4-5-8-15(14)21-16-9-6-10-18-17(16)20/h4-10,13H,11-12H2,1-3H3
InChIKeyPMHMRJXNWCSRMC-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.88
Rot. Bonds4

About N,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine

N,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine (PubChem CID 3051456) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
PubChem CID3051456
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
SMILESCC(CN(C)C)CN1c2ccccc2Sc2cccnc21
InChIInChI=1S/C17H21N3S/c1-13(11-19(2)3)12-20-14-7-4-5-8-15(14)21-16-9-6-10-18-17(16)20/h4-10,13H,11-12H2,1-3H3
InChIKeyPMHMRJXNWCSRMC-UHFFFAOYSA-N
XLogP3.88
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine?
The IUPAC name of N,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine (CID 3051456) is N,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine.
What is the SMILES notation for N,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine?
The canonical SMILES for N,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine is CC(CN(C)C)CN1c2ccccc2Sc2cccnc21.
What is the InChIKey of N,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine?
The InChIKey is PMHMRJXNWCSRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-13(11-19(2)3)12-20-14-7-4-5-8-15(14)21-16-9-6-10-18-17(16)20/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine?
N,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine is sourced from PubChem (CID 3051456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).