1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine

C11H23NO3S — CID 62320376

IUPAC1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine
SMILESCCCNC(COC)CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H23NO3S/c1-3-5-12-11(8-15-2)7-10-4-6-16(13,14)9-10/h10-12H,3-9H2,1-2H3
InChIKeyLAMJKXFLGJCIRR-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.83
Rot. Bonds7

About 1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine

1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine (PubChem CID 62320376) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine
PubChem CID62320376
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine
SMILESCCCNC(COC)CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H23NO3S/c1-3-5-12-11(8-15-2)7-10-4-6-16(13,14)9-10/h10-12H,3-9H2,1-2H3
InChIKeyLAMJKXFLGJCIRR-UHFFFAOYSA-N
XLogP0.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine (CID 62320376) is 1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine is CCCNC(COC)CC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine?
The InChIKey is LAMJKXFLGJCIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-3-5-12-11(8-15-2)7-10-4-6-16(13,14)9-10/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine?
1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine is sourced from PubChem (CID 62320376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).