N-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C16H23N3OS — CID 103967871

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOc1ccc(CNC2=NCC3(CCCCC3)CS2)cn1
InChIInChI=1S/C16H23N3OS/c1-20-14-6-5-13(9-17-14)10-18-15-19-11-16(12-21-15)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-12H2,1H3,(H,18,19)
InChIKeyOAWBDSNQOYPMQF-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.23
Rot. Bonds3

About N-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967871) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967871
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOc1ccc(CNC2=NCC3(CCCCC3)CS2)cn1
InChIInChI=1S/C16H23N3OS/c1-20-14-6-5-13(9-17-14)10-18-15-19-11-16(12-21-15)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-12H2,1H3,(H,18,19)
InChIKeyOAWBDSNQOYPMQF-UHFFFAOYSA-N
XLogP3.23
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine with MolForge

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Related Compounds

N-(4-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967536
N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 114101129
2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936392
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622866
1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol
CID 114936941
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355
N-[(6-methoxy-3-pyridinyl)methyl]thiophen-3-amine
CID 114936804

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967871) is N-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is COc1ccc(CNC2=NCC3(CCCCC3)CS2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is OAWBDSNQOYPMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-20-14-6-5-13(9-17-14)10-18-15-19-11-16(12-21-15)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-12H2,1H3,(H,18,19).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 305.45 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).