N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine

C16H28N2OS — CID 106363578

IUPACN-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCCC1(CC)CC(NC2=NC3CCCC3CS2)CCO1
InChIInChI=1S/C16H28N2OS/c1-3-16(4-2)10-13(8-9-19-16)17-15-18-14-7-5-6-12(14)11-20-15/h12-14H,3-11H2,1-2H3,(H,17,18)
InChIKeyQPLHDRHVALSHKP-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.59
Rot. Bonds3

About N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine

N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (PubChem CID 106363578) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
PubChem CID106363578
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCCC1(CC)CC(NC2=NC3CCCC3CS2)CCO1
InChIInChI=1S/C16H28N2OS/c1-3-16(4-2)10-13(8-9-19-16)17-15-18-14-7-5-6-12(14)11-20-15/h12-14H,3-11H2,1-2H3,(H,17,18)
InChIKeyQPLHDRHVALSHKP-UHFFFAOYSA-N
XLogP3.59
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine with MolForge

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363576
N-(2,2-diethyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83029335
N-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363309
N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106362995
N-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363216
N-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154666
N-(3-ethylpentan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 114178995
N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine
CID 82760789
6-N-(2,2-diethyloxan-4-yl)pyridine-2,3,6-triamine
CID 83026937
N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659872
5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine
CID 82760303
N-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363714

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (CID 106363578) is N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is CCC1(CC)CC(NC2=NC3CCCC3CS2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The InChIKey is QPLHDRHVALSHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-3-16(4-2)10-13(8-9-19-16)17-15-18-14-7-5-6-12(14)11-20-15/h12-14H,3-11H2,1-2H3,(H,17,18).
What are the key properties of N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine has a molecular weight of 296.48 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is sourced from PubChem (CID 106363578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).