7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C14H24N2O2S2 — CID 62527144

IUPAC7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCC1CCCC2(CSC(NC3(C)CCS(=O)(=O)C3)=N2)C1
InChIInChI=1S/C14H24N2O2S2/c1-11-4-3-5-14(8-11)9-19-12(16-14)15-13(2)6-7-20(17,18)10-13/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyHMNMFZLYPRWRRF-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.20
Rot. Bonds1

About 7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 62527144) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound Name7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID62527144
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCC1CCCC2(CSC(NC3(C)CCS(=O)(=O)C3)=N2)C1
InChIInChI=1S/C14H24N2O2S2/c1-11-4-3-5-14(8-11)9-19-12(16-14)15-13(2)6-7-20(17,18)10-13/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyHMNMFZLYPRWRRF-UHFFFAOYSA-N
XLogP2.20
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine with MolForge

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Related Compounds

N-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 65038584
5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250571
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-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525914
N-(3,4-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526771
N-(2-chlorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525559
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-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527301
N-(2,5-difluoro-4-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 103586624
N-(5-chloro-2-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526952
N-(3-fluoro-4-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527302

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of 7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 62527144) is 7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for 7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for 7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is CC1CCCC2(CSC(NC3(C)CCS(=O)(=O)C3)=N2)C1.
What is the InChIKey of 7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is HMNMFZLYPRWRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-11-4-3-5-14(8-11)9-19-12(16-14)15-13(2)6-7-20(17,18)10-13/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 316.49 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 62527144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).