N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride

C16H20ClN3S — CID 14669

IUPACN,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1c2ccccc2Sc2cccnc21.Cl
InChIInChI=1S/C16H19N3S.ClH/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19;/h3-5,7-10H,6,11-12H2,1-2H3;1H
InChIKeyCQJSAKJMCVSEGU-UHFFFAOYSA-N
MW321.88 g/mol
LogP4.06
Rot. Bonds4

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

N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride (PubChem CID 14669) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride
PubChem CID14669
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC NameN,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1c2ccccc2Sc2cccnc21.Cl
InChIInChI=1S/C16H19N3S.ClH/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19;/h3-5,7-10H,6,11-12H2,1-2H3;1H
InChIKeyCQJSAKJMCVSEGU-UHFFFAOYSA-N
XLogP4.06
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 3781
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CID 14670
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CID 67496
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CID 168893
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CID 1483729
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CID 10335576
CID 10335576
CID 57401706
CID 57401706
CID 3051459
CID 3051459
CID 660379
CID 660379
CID 12858138
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CID 12858140
CID 12858140

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride (CID 14669) is N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride is CN(C)CCCN1c2ccccc2Sc2cccnc21.Cl.
What is the InChIKey of N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride?
The InChIKey is CQJSAKJMCVSEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S.ClH/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19;/h3-5,7-10H,6,11-12H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride?
N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride has a molecular weight of 321.88 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 14669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).