1-(1,1-dioxothiolan-3-yl)pent-4-en-2-amine

C9H17NO2S — CID 105108040

IUPAC1-(1,1-dioxothiolan-3-yl)pent-4-en-2-amine
SMILESC=CCC(N)CC1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO2S/c1-2-3-9(10)6-8-4-5-13(11,12)7-8/h2,8-9H,1,3-7,10H2
InChIKeyYOSKEPXBZZAUKG-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.71
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)pent-4-en-2-amine

1-(1,1-dioxothiolan-3-yl)pent-4-en-2-amine (PubChem CID 105108040) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)pent-4-en-2-amine
PubChem CID105108040
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name1-(1,1-dioxothiolan-3-yl)pent-4-en-2-amine
SMILESC=CCC(N)CC1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO2S/c1-2-3-9(10)6-8-4-5-13(11,12)7-8/h2,8-9H,1,3-7,10H2
InChIKeyYOSKEPXBZZAUKG-UHFFFAOYSA-N
XLogP0.71
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,1-dioxothiolan-3-yl)pent-4-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

5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine
CID 163874396
N-(cyclohex-3-en-1-ylmethyl)-1,1-dioxothiolan-3-amine
CID 43181943
Cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine
CID 64903915
Cyclohexen-1-yl-(1,1-dioxothiolan-3-yl)methanamine
CID 64907046
2-Methyl-2-methylsulfonyloct-7-en-3-amine
CID 104986897
1-(1,1-dioxothiolan-3-yl)-N-propylpent-4-en-2-amine
CID 105108013
1-(1,1-dioxothiolan-3-yl)-N-ethylpent-4-en-2-amine
CID 105108418
1-(1,1-dioxothiolan-3-yl)-N-methylpent-4-en-2-amine
CID 105108523
1-(1,1-dioxothiolan-3-yl)-N-propylhept-6-en-2-amine
CID 105153043
1-(1,1-Dioxothiolan-3-yl)hept-6-en-2-amine
CID 105153053
1-(1,1-dioxothiolan-3-yl)-N-ethylhept-6-en-2-amine
CID 105153184
1-(Thiolan-3-yl)hex-5-en-1-amine
CID 105153201

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)pent-4-en-2-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)pent-4-en-2-amine (CID 105108040) is 1-(1,1-dioxothiolan-3-yl)pent-4-en-2-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)pent-4-en-2-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)pent-4-en-2-amine is C=CCC(N)CC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)pent-4-en-2-amine?
The InChIKey is YOSKEPXBZZAUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-2-3-9(10)6-8-4-5-13(11,12)7-8/h2,8-9H,1,3-7,10H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)pent-4-en-2-amine?
1-(1,1-dioxothiolan-3-yl)pent-4-en-2-amine has a molecular weight of 203.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)pent-4-en-2-amine is sourced from PubChem (CID 105108040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).