N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

C16H22N2OS — CID 115361017

IUPACN-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCCOc1ccccc1NC1=NCC2(CCCC2)CS1
InChIInChI=1S/C16H22N2OS/c1-2-19-14-8-4-3-7-13(14)18-15-17-11-16(12-20-15)9-5-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,17,18)
InChIKeyWSASTURSRBNXMO-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.16
Rot. Bonds3

About N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 115361017) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID115361017
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCCOc1ccccc1NC1=NCC2(CCCC2)CS1
InChIInChI=1S/C16H22N2OS/c1-2-19-14-8-4-3-7-13(14)18-15-17-11-16(12-20-15)9-5-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,17,18)
InChIKeyWSASTURSRBNXMO-UHFFFAOYSA-N
XLogP4.16
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249725
N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361210
N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967529
(4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2345411
N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115360949
3-N,3-N-dimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)benzene-1,3-diamine
CID 115378759
N-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967875
N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967538
N-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967525
N-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361452
N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide
CID 115361118
N-(4-bromo-3,5-dimethylphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 107575996

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 115361017) is N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is CCOc1ccccc1NC1=NCC2(CCCC2)CS1.
What is the InChIKey of N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is WSASTURSRBNXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-2-19-14-8-4-3-7-13(14)18-15-17-11-16(12-20-15)9-5-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,17,18).
What are the key properties of N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 290.43 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 115361017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).