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

C14H18N2OS2 — CID 106297593

IUPACN-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCSc1cccc(NC2=NC3(CCOCC3)CS2)c1
InChIInChI=1S/C14H18N2OS2/c1-18-12-4-2-3-11(9-12)15-13-16-14(10-19-13)5-7-17-8-6-14/h2-4,9H,5-8,10H2,1H3,(H,15,16)
InChIKeyKHHJVTKHRSEYHF-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.47
Rot. Bonds2

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

N-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 106297593) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID106297593
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC NameN-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCSc1cccc(NC2=NC3(CCOCC3)CS2)c1
InChIInChI=1S/C14H18N2OS2/c1-18-12-4-2-3-11(9-12)15-13-16-14(10-19-13)5-7-17-8-6-14/h2-4,9H,5-8,10H2,1H3,(H,15,16)
InChIKeyKHHJVTKHRSEYHF-UHFFFAOYSA-N
XLogP3.47
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106299194
N-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298642
N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068066
N-(2,6-dibromo-4-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297519
N-(2,4,6-trifluorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298664
N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298265
N-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297662
N-[2-(2-methoxyethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106299128
N-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62524988
N-(5-bromo-2-chlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298479
N-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 107589083
2-methyl-N-(3-methylsulfanylphenyl)-6-(oxan-4-yl)pyrimidin-4-amine
CID 155980389

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 106297593) is N-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is CSc1cccc(NC2=NC3(CCOCC3)CS2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is KHHJVTKHRSEYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-18-12-4-2-3-11(9-12)15-13-16-14(10-19-13)5-7-17-8-6-14/h2-4,9H,5-8,10H2,1H3,(H,15,16).
What are the key properties of N-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 294.44 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 106297593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).