N-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine

C10H19NO3S — CID 62597651

IUPACN-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine
SMILESC=CCCOCCNC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-2-3-6-14-7-5-11-10-4-8-15(12,13)9-10/h2,10-11H,1,3-9H2
InChIKeyPHEYHJGCQYVULD-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.36
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine

N-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine (PubChem CID 62597651) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine
PubChem CID62597651
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine
SMILESC=CCCOCCNC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-2-3-6-14-7-5-11-10-4-8-15(12,13)9-10/h2,10-11H,1,3-9H2
InChIKeyPHEYHJGCQYVULD-UHFFFAOYSA-N
XLogP0.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine (CID 62597651) is N-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine is C=CCCOCCNC1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine?
The InChIKey is PHEYHJGCQYVULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-2-3-6-14-7-5-11-10-4-8-15(12,13)9-10/h2,10-11H,1,3-9H2.
What are the key properties of N-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine?
N-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine has a molecular weight of 233.33 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 62597651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).