N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine

C15H27N3S — CID 106362995

IUPACN-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCCN1CCCC(NC2=NC3CCCCC3CS2)C1
InChIInChI=1S/C15H27N3S/c1-2-18-9-5-7-13(10-18)16-15-17-14-8-4-3-6-12(14)11-19-15/h12-14H,2-11H2,1H3,(H,16,17)
InChIKeyTZEQVSJSLWIZEI-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.72
Rot. Bonds2

About N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine

N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (PubChem CID 106362995) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
PubChem CID106362995
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCCN1CCCC(NC2=NC3CCCCC3CS2)C1
InChIInChI=1S/C15H27N3S/c1-2-18-9-5-7-13(10-18)16-15-17-14-8-4-3-6-12(14)11-19-15/h12-14H,2-11H2,1H3,(H,16,17)
InChIKeyTZEQVSJSLWIZEI-UHFFFAOYSA-N
XLogP2.72
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine with MolForge

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Related Compounds

N-(1-ethylpiperidin-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114009797
N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363576
1-ethyl-N-(1-methylimidazol-2-yl)piperidin-3-amine
CID 62133127
6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80801238
2-N-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 106363166
N-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-amine
CID 62786064
N-(1-ethylpiperidin-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475474
N-(1-ethylpiperidin-3-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677438
N-(1-ethylpiperidin-3-yl)-5-fluoropyridin-2-amine
CID 61313341
1-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-[(3S)-1-ethylpiperidin-3-yl]urea
CID 124737020
5-chloro-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 61170004
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-ethylpiperidin-3-yl)urea
CID 75404998

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (CID 106362995) is N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is CCN1CCCC(NC2=NC3CCCCC3CS2)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The InChIKey is TZEQVSJSLWIZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-2-18-9-5-7-13(10-18)16-15-17-14-8-4-3-6-12(14)11-19-15/h12-14H,2-11H2,1H3,(H,16,17).
What are the key properties of N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine has a molecular weight of 281.47 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 106362995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).