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

C16H28N2S — CID 106363216

IUPACN-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCC(NC1=NC2CCCCC2CS1)C1CCCCC1
InChIInChI=1S/C16H28N2S/c1-12(13-7-3-2-4-8-13)17-16-18-15-10-6-5-9-14(15)11-19-16/h12-15H,2-11H2,1H3,(H,17,18)
InChIKeyHJXFRTQDRDZECZ-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.21
Rot. Bonds2

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

N-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (PubChem CID 106363216) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
PubChem CID106363216
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCC(NC1=NC2CCCCC2CS1)C1CCCCC1
InChIInChI=1S/C16H28N2S/c1-12(13-7-3-2-4-8-13)17-16-18-15-10-6-5-9-14(15)11-19-16/h12-15H,2-11H2,1H3,(H,17,18)
InChIKeyHJXFRTQDRDZECZ-UHFFFAOYSA-N
XLogP4.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363664
N-(1-phenylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106362593
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
2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine
CID 106363567
N-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 114178991
N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363576
4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-ylcarbamic acid
CID 57475820
methyl 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-2-phenylacetate
CID 106363178
N-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363703
N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363578
N-(2-tert-butylphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363353
N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106362995

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (CID 106363216) is N-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is CC(NC1=NC2CCCCC2CS1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The InChIKey is HJXFRTQDRDZECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-12(13-7-3-2-4-8-13)17-16-18-15-10-6-5-9-14(15)11-19-16/h12-15H,2-11H2,1H3,(H,17,18).
What are the key properties of N-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
N-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine has a molecular weight of 280.48 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 106363216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).