1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol

C7H15NO3S — CID 115019537

IUPAC1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol
SMILESCC(O)CC1CS(=O)(=O)CC1N
InChIInChI=1S/C7H15NO3S/c1-5(9)2-6-3-12(10,11)4-7(6)8/h5-7,9H,2-4,8H2,1H3
InChIKeyFFTPLGNQOUCZDG-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.87
Rot. Bonds2

About 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol

1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol (PubChem CID 115019537) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol
PubChem CID115019537
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol
SMILESCC(O)CC1CS(=O)(=O)CC1N
InChIInChI=1S/C7H15NO3S/c1-5(9)2-6-3-12(10,11)4-7(6)8/h5-7,9H,2-4,8H2,1H3
InChIKeyFFTPLGNQOUCZDG-UHFFFAOYSA-N
XLogP-0.87
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol?
The IUPAC name of 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol (CID 115019537) is 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol.
What is the SMILES notation for 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol?
The canonical SMILES for 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol is CC(O)CC1CS(=O)(=O)CC1N.
What is the InChIKey of 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol?
The InChIKey is FFTPLGNQOUCZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-5(9)2-6-3-12(10,11)4-7(6)8/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol?
1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol has a molecular weight of 193.27 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol is sourced from PubChem (CID 115019537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).