N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C17H24N2OS — CID 62527844

IUPACN-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCOCc1cccc(NC2=NC3(CCCC(C)C3)CS2)c1
InChIInChI=1S/C17H24N2OS/c1-13-5-4-8-17(10-13)12-21-16(19-17)18-15-7-3-6-14(9-15)11-20-2/h3,6-7,9,13H,4-5,8,10-12H2,1-2H3,(H,18,19)
InChIKeyUUTRBGQJRBJOAN-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.30
Rot. Bonds3

About N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 62527844) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID62527844
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCOCc1cccc(NC2=NC3(CCCC(C)C3)CS2)c1
InChIInChI=1S/C17H24N2OS/c1-13-5-4-8-17(10-13)12-21-16(19-17)18-15-7-3-6-14(9-15)11-20-2/h3,6-7,9,13H,4-5,8,10-12H2,1-2H3,(H,18,19)
InChIKeyUUTRBGQJRBJOAN-UHFFFAOYSA-N
XLogP4.30
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methoxymethyl)phenyl]-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525721
7-methyl-N-(3-propan-2-ylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527659
7-methyl-N-(4-propylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526955
N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 54965185
N-(3,4-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526771
N-(4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525557
N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527307
N-(3-fluoro-4-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527302
4-N,4-N-dimethyl-1-N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,4-diamine
CID 62527313
N-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525914
N-(2-chlorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525559
N-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 65038584

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 62527844) is N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is COCc1cccc(NC2=NC3(CCCC(C)C3)CS2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is UUTRBGQJRBJOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-13-5-4-8-17(10-13)12-21-16(19-17)18-15-7-3-6-14(9-15)11-20-2/h3,6-7,9,13H,4-5,8,10-12H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 304.46 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 62527844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).