(1,1-dioxothiolan-3-yl)-(oxan-3-yl)methanamine

C10H19NO3S — CID 63738772

IUPAC(1,1-dioxothiolan-3-yl)-(oxan-3-yl)methanamine
SMILESNC(C1CCCOC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c11-10(8-2-1-4-14-6-8)9-3-5-15(12,13)7-9/h8-10H,1-7,11H2
InChIKeyRDOJJPZRGIOVGM-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.17
Rot. Bonds2

About (1,1-dioxothiolan-3-yl)-(oxan-3-yl)methanamine

(1,1-dioxothiolan-3-yl)-(oxan-3-yl)methanamine (PubChem CID 63738772) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-(oxan-3-yl)methanamine
PubChem CID63738772
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name(1,1-dioxothiolan-3-yl)-(oxan-3-yl)methanamine
SMILESNC(C1CCCOC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c11-10(8-2-1-4-14-6-8)9-3-5-15(12,13)7-9/h8-10H,1-7,11H2
InChIKeyRDOJJPZRGIOVGM-UHFFFAOYSA-N
XLogP0.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-(oxan-3-yl)methanamine?
The IUPAC name of (1,1-dioxothiolan-3-yl)-(oxan-3-yl)methanamine (CID 63738772) is (1,1-dioxothiolan-3-yl)-(oxan-3-yl)methanamine.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-(oxan-3-yl)methanamine?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-(oxan-3-yl)methanamine is NC(C1CCCOC1)C1CCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-(oxan-3-yl)methanamine?
The InChIKey is RDOJJPZRGIOVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c11-10(8-2-1-4-14-6-8)9-3-5-15(12,13)7-9/h8-10H,1-7,11H2.
What are the key properties of (1,1-dioxothiolan-3-yl)-(oxan-3-yl)methanamine?
(1,1-dioxothiolan-3-yl)-(oxan-3-yl)methanamine has a molecular weight of 233.33 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-(oxan-3-yl)methanamine is sourced from PubChem (CID 63738772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).