N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C16H22N2O2S — CID 106299128

IUPACN-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCOCCc1ccccc1NC1=NC2(CCOCC2)CS1
InChIInChI=1S/C16H22N2O2S/c1-19-9-6-13-4-2-3-5-14(13)17-15-18-16(12-21-15)7-10-20-11-8-16/h2-5H,6-12H2,1H3,(H,17,18)
InChIKeyRZTHTNHPUHJWNM-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.94
Rot. Bonds4

About N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 106299128) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID106299128
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCOCCc1ccccc1NC1=NC2(CCOCC2)CS1
InChIInChI=1S/C16H22N2O2S/c1-19-9-6-13-4-2-3-5-14(13)17-15-18-16(12-21-15)7-10-20-11-8-16/h2-5H,6-12H2,1H3,(H,17,18)
InChIKeyRZTHTNHPUHJWNM-UHFFFAOYSA-N
XLogP2.94
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297646
N-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297649
N-[4-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297709
N-(3-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297815
N-(4-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297829
N-(2-fluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297839
N-(5-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297860
N-(3-fluoro-4-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297867
N-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297877
N-(2-fluoro-4-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297900
N-(2-fluoro-5-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297933
N-(3-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298290

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 106299128) is N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is COCCc1ccccc1NC1=NC2(CCOCC2)CS1.
What is the InChIKey of N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is RZTHTNHPUHJWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-19-9-6-13-4-2-3-5-14(13)17-15-18-16(12-21-15)7-10-20-11-8-16/h2-5H,6-12H2,1H3,(H,17,18).
What are the key properties of N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 306.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 106299128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).