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

C16H22N2OS — CID 115361425

IUPACN-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESc1ccc(OCCNC2=NCC3(CCCC3)CS2)cc1
InChIInChI=1S/C16H22N2OS/c1-2-6-14(7-3-1)19-11-10-17-15-18-12-16(13-20-15)8-4-5-9-16/h1-3,6-7H,4-5,8-13H2,(H,17,18)
InChIKeyIJULVSZARVEXHA-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.32
Rot. Bonds4

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

N-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 115361425) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID115361425
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESc1ccc(OCCNC2=NCC3(CCCC3)CS2)cc1
InChIInChI=1S/C16H22N2OS/c1-2-6-14(7-3-1)19-11-10-17-15-18-12-16(13-20-15)8-4-5-9-16/h1-3,6-7H,4-5,8-13H2,(H,17,18)
InChIKeyIJULVSZARVEXHA-UHFFFAOYSA-N
XLogP3.32
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide
CID 113294183
N-(4-imidazol-1-ylbutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967819
4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzonitrile
CID 115361152
N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine
CID 78915355
1-[(2-phenoxyethylamino)methyl]cyclopentan-1-ol
CID 65111917
4-bromo-3,5-dimethyl-N-(2-phenoxyethyl)aniline
CID 107573411
N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967612
N-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967942
N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967979
N-(4-methylsulfanylphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361044
N-(2-phenoxyethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 60680266
5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine
CID 103360202

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 115361425) is N-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is c1ccc(OCCNC2=NCC3(CCCC3)CS2)cc1.
What is the InChIKey of N-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is IJULVSZARVEXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-2-6-14(7-3-1)19-11-10-17-15-18-12-16(13-20-15)8-4-5-9-16/h1-3,6-7H,4-5,8-13H2,(H,17,18).
What are the key properties of N-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 290.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 115361425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).