1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine

C10H19NO2S — CID 70660669

IUPAC1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine
SMILESC=CCN(C(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-4-6-11(9(2)3)10-5-7-14(12,13)8-10/h4,9-10H,1,5-8H2,2-3H3
InChIKeyFLXAZERQYFKMMK-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.07
Rot. Bonds4

About 1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine

1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine (PubChem CID 70660669) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine
PubChem CID70660669
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine
SMILESC=CCN(C(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-4-6-11(9(2)3)10-5-7-14(12,13)8-10/h4,9-10H,1,5-8H2,2-3H3
InChIKeyFLXAZERQYFKMMK-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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-propan-2-yl-N-prop-2-enylthiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine (CID 70660669) is 1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine is C=CCN(C(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine?
The InChIKey is FLXAZERQYFKMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-4-6-11(9(2)3)10-5-7-14(12,13)8-10/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine?
1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine has a molecular weight of 217.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-propan-2-yl-N-prop-2-enylthiolan-3-amine is sourced from PubChem (CID 70660669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).