N-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C16H28N2OS — CID 103968025

IUPACN-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC1(C)CC(NC2=NCC3(CCCCC3)CS2)CCO1
InChIInChI=1S/C16H28N2OS/c1-15(2)10-13(6-9-19-15)18-14-17-11-16(12-20-14)7-4-3-5-8-16/h13H,3-12H2,1-2H3,(H,17,18)
InChIKeyRLOSHICTDZYCBJ-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.59
Rot. Bonds1

About N-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103968025) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103968025
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC1(C)CC(NC2=NCC3(CCCCC3)CS2)CCO1
InChIInChI=1S/C16H28N2OS/c1-15(2)10-13(6-9-19-15)18-14-17-11-16(12-20-14)7-4-3-5-8-16/h13H,3-12H2,1-2H3,(H,17,18)
InChIKeyRLOSHICTDZYCBJ-UHFFFAOYSA-N
XLogP3.59
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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

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Related Compounds

5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 83029259
N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363576
N-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967744
N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 114101129
N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967538
N-(2,2-dimethyloxan-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 83029113
N-(2,2-diethyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83029335
N-(3-fluoro-5-methylphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967962
N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 113359779
N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 83028490
N-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967670
2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine
CID 83027817

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103968025) is N-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CC1(C)CC(NC2=NCC3(CCCCC3)CS2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is RLOSHICTDZYCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-15(2)10-13(6-9-19-15)18-14-17-11-16(12-20-14)7-4-3-5-8-16/h13H,3-12H2,1-2H3,(H,17,18).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 296.48 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103968025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).