cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine

C10H17NO2S — CID 64903915

IUPACcyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine
SMILESNC(C1=CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO2S/c11-10(8-3-1-2-4-8)9-5-6-14(12,13)7-9/h3,9-10H,1-2,4-7,11H2
InChIKeyLLMWLMUHJYWPFX-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.86
Rot. Bonds2

About cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine

cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine (PubChem CID 64903915) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine.

Molecular Properties

Compound Namecyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine
PubChem CID64903915
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Namecyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine
SMILESNC(C1=CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO2S/c11-10(8-3-1-2-4-8)9-5-6-14(12,13)7-9/h3,9-10H,1-2,4-7,11H2
InChIKeyLLMWLMUHJYWPFX-UHFFFAOYSA-N
XLogP0.86
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopenten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 64904121
3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine
CID 102647940
1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 106654139
N-[cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methyl]propan-1-amine
CID 64904123
cyclohepten-1-yl(cyclopentyl)methanamine
CID 62079813
(1,1-dioxothiolan-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 64906184
(2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine
CID 79977858
(1,1-dioxothiolan-3-yl)-(1,2-thiazol-4-yl)methanamine
CID 164648502
(4-butan-2-ylphenyl)-(1,1-dioxothiolan-3-yl)methanamine
CID 64905563
cyclohepten-1-yl-(3-methylcyclohexyl)methanamine
CID 106652734
2,3-dihydro-1-benzofuran-7-yl-(1,1-dioxothiolan-3-yl)methanamine
CID 114745990
1-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoroethanamine
CID 131521427

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine?
The IUPAC name of cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine (CID 64903915) is cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine.
What is the SMILES notation for cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine?
The canonical SMILES for cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine is NC(C1=CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine?
The InChIKey is LLMWLMUHJYWPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c11-10(8-3-1-2-4-8)9-5-6-14(12,13)7-9/h3,9-10H,1-2,4-7,11H2.
What are the key properties of cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine?
cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine has a molecular weight of 215.32 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine is sourced from PubChem (CID 64903915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).