1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine

C14H25NO2S — CID 106654139

IUPAC1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H25NO2S/c1-15-14(13-9-10-18(16,17)11-13)12-7-5-3-2-4-6-8-12/h7,13-15H,2-6,8-11H2,1H3
InChIKeyKGFYHHGMKPHYGW-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.29
Rot. Bonds3

About 1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine

1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine (PubChem CID 106654139) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
PubChem CID106654139
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H25NO2S/c1-15-14(13-9-10-18(16,17)11-13)12-7-5-3-2-4-6-8-12/h7,13-15H,2-6,8-11H2,1H3
InChIKeyKGFYHHGMKPHYGW-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine 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

1-(cyclopenten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 64904121
N-[cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methyl]propan-1-amine
CID 64904123
cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine
CID 64903915
1-(cycloocten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 106653223
1-(cyclohepten-1-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine
CID 106657086
1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 81099133
1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 115336729
1-(2,5-dimethylfuran-3-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 64906824
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 66396114
1-(cyclohepten-1-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 106653848
1-(1,1-dioxothiolan-3-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 113289751
1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 114519704

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine (CID 106654139) is 1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine is CNC(C1=CCCCCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine?
The InChIKey is KGFYHHGMKPHYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-15-14(13-9-10-18(16,17)11-13)12-7-5-3-2-4-6-8-12/h7,13-15H,2-6,8-11H2,1H3.
What are the key properties of 1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine?
1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine has a molecular weight of 271.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 106654139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).