N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine

C15H20N2OS — CID 62524507

IUPACN-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
SMILESCOc1ccc(C)cc1NC1=NC2(CCCC2)CS1
InChIInChI=1S/C15H20N2OS/c1-11-5-6-13(18-2)12(9-11)16-14-17-15(10-19-14)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyFWHQJBGBSZIFJX-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.83
Rot. Bonds2

About N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine

N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine (PubChem CID 62524507) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
PubChem CID62524507
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
SMILESCOc1ccc(C)cc1NC1=NC2(CCCC2)CS1
InChIInChI=1S/C15H20N2OS/c1-11-5-6-13(18-2)12(9-11)16-14-17-15(10-19-14)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyFWHQJBGBSZIFJX-UHFFFAOYSA-N
XLogP3.83
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62522943
N-(4-fluoro-2-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62516977
N-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187934
N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298265
N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526066
N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164957
N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62524652
N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 107637550
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463
6-methoxy-2-N-(2-methoxy-5-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80762691
1-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61183715
3-bromo-N-(2-methoxy-5-methylphenyl)-4-methylpyridin-2-amine
CID 106876474

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine (CID 62524507) is N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine is COc1ccc(C)cc1NC1=NC2(CCCC2)CS1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The InChIKey is FWHQJBGBSZIFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-5-6-13(18-2)12(9-11)16-14-17-15(10-19-14)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine has a molecular weight of 276.40 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine is sourced from PubChem (CID 62524507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).