1,1-dioxo-N-prop-2-enyl-N-propylthiolan-3-amine

C10H19NO2S — CID 78824076

IUPAC1,1-dioxo-N-prop-2-enyl-N-propylthiolan-3-amine
SMILESC=CCN(CCC)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-3-6-11(7-4-2)10-5-8-14(12,13)9-10/h3,10H,1,4-9H2,2H3
InChIKeyKOFBXOQQYGSTTC-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.07
Rot. Bonds5

About 1,1-dioxo-N-prop-2-enyl-N-propylthiolan-3-amine

1,1-dioxo-N-prop-2-enyl-N-propylthiolan-3-amine (PubChem CID 78824076) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1,1-dioxo-N-prop-2-enyl-N-propylthiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-prop-2-enyl-N-propylthiolan-3-amine
PubChem CID78824076
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1,1-dioxo-N-prop-2-enyl-N-propylthiolan-3-amine
SMILESC=CCN(CCC)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-3-6-11(7-4-2)10-5-8-14(12,13)9-10/h3,10H,1,4-9H2,2H3
InChIKeyKOFBXOQQYGSTTC-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-prop-2-enyl-N-propylthiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-prop-2-enyl-N-propylthiolan-3-amine (CID 78824076) is 1,1-dioxo-N-prop-2-enyl-N-propylthiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-prop-2-enyl-N-propylthiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-prop-2-enyl-N-propylthiolan-3-amine is C=CCN(CCC)C1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-prop-2-enyl-N-propylthiolan-3-amine?
The InChIKey is KOFBXOQQYGSTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-6-11(7-4-2)10-5-8-14(12,13)9-10/h3,10H,1,4-9H2,2H3.
What are the key properties of 1,1-dioxo-N-prop-2-enyl-N-propylthiolan-3-amine?
1,1-dioxo-N-prop-2-enyl-N-propylthiolan-3-amine has a molecular weight of 217.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-prop-2-enyl-N-propylthiolan-3-amine is sourced from PubChem (CID 78824076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).