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

C18H23N3S — CID 110178852

IUPACN,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
SMILESCN(C)CC(C)(C)CN1c2ccccc2Sc2cccnc21
InChIInChI=1S/C18H23N3S/c1-18(2,12-20(3)4)13-21-14-8-5-6-9-15(14)22-16-10-7-11-19-17(16)21/h5-11H,12-13H2,1-4H3
InChIKeyMUPXHSKDJYEAOG-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.27
Rot. Bonds4

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

N,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine (PubChem CID 110178852) has the molecular formula C18H23N3S and a molecular weight of 313.47 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
PubChem CID110178852
Molecular FormulaC18H23N3S
Molecular Weight313.47 g/mol
Exact Mass313.16
IUPAC NameN,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
SMILESCN(C)CC(C)(C)CN1c2ccccc2Sc2cccnc21
InChIInChI=1S/C18H23N3S/c1-18(2,12-20(3)4)13-21-14-8-5-6-9-15(14)22-16-10-7-11-19-17(16)21/h5-11H,12-13H2,1-4H3
InChIKeyMUPXHSKDJYEAOG-UHFFFAOYSA-N
XLogP4.27
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine with MolForge

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Related Compounds

N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine;hydron;chloride
CID 74763974
N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride
CID 71587927
trimethyl(1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-yl)azanium
CID 110173961
3-pyrido[3,2-b][1,4]benzothiazin-10-yl-N,N-bis(trideuteriomethyl)propan-1-amine
CID 71751860
benzoic acid;N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine
CID 175196790
dimethyl-bis(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)azanium
CID 68631134
cyclopentane;dimethyl-bis(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)azanium
CID 68631133
10-[(4-bromophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine
CID 3813762
10-(2,2-dimethylpropyl)phenothiazine
CID 69273925
3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine
CID 139362521
10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine
CID 3743905
(2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
CID 15558621

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine?
The IUPAC name of N,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine (CID 110178852) is N,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine.
What is the SMILES notation for N,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine?
The canonical SMILES for N,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine is CN(C)CC(C)(C)CN1c2ccccc2Sc2cccnc21.
What is the InChIKey of N,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine?
The InChIKey is MUPXHSKDJYEAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3S/c1-18(2,12-20(3)4)13-21-14-8-5-6-9-15(14)22-16-10-7-11-19-17(16)21/h5-11H,12-13H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine?
N,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine has a molecular weight of 313.47 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine is sourced from PubChem (CID 110178852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).