3-[(cyclopropylamino)methyl]-1,1-dioxothiolan-3-ol

C8H15NO3S — CID 63166443

IUPAC3-[(cyclopropylamino)methyl]-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CCC(O)(CNC2CC2)C1
InChIInChI=1S/C8H15NO3S/c10-8(5-9-7-1-2-7)3-4-13(11,12)6-8/h7,9-10H,1-6H2
InChIKeyBVVIZWBULJASJX-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.71
Rot. Bonds3

About 3-[(cyclopropylamino)methyl]-1,1-dioxothiolan-3-ol

3-[(cyclopropylamino)methyl]-1,1-dioxothiolan-3-ol (PubChem CID 63166443) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-1,1-dioxothiolan-3-ol
PubChem CID63166443
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name3-[(cyclopropylamino)methyl]-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CCC(O)(CNC2CC2)C1
InChIInChI=1S/C8H15NO3S/c10-8(5-9-7-1-2-7)3-4-13(11,12)6-8/h7,9-10H,1-6H2
InChIKeyBVVIZWBULJASJX-UHFFFAOYSA-N
XLogP-0.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-1,1-dioxothiolan-3-ol?
The IUPAC name of 3-[(cyclopropylamino)methyl]-1,1-dioxothiolan-3-ol (CID 63166443) is 3-[(cyclopropylamino)methyl]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-1,1-dioxothiolan-3-ol is O=S1(=O)CCC(O)(CNC2CC2)C1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-1,1-dioxothiolan-3-ol?
The InChIKey is BVVIZWBULJASJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c10-8(5-9-7-1-2-7)3-4-13(11,12)6-8/h7,9-10H,1-6H2.
What are the key properties of 3-[(cyclopropylamino)methyl]-1,1-dioxothiolan-3-ol?
3-[(cyclopropylamino)methyl]-1,1-dioxothiolan-3-ol has a molecular weight of 205.28 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 63166443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).