4-(ethylamino)-1,1-dioxothiolan-3-ol

C6H13NO3S — CID 6484129

IUPAC4-(ethylamino)-1,1-dioxothiolan-3-ol
SMILESCCNC1CS(=O)(=O)CC1O
InChIInChI=1S/C6H13NO3S/c1-2-7-5-3-11(9,10)4-6(5)8/h5-8H,2-4H2,1H3
InChIKeyYXUFFWJIYMWWIG-UHFFFAOYSA-N
MW179.24 g/mol
LogP-1.25
Rot. Bonds2

About 4-(ethylamino)-1,1-dioxothiolan-3-ol

4-(ethylamino)-1,1-dioxothiolan-3-ol (PubChem CID 6484129) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 4-(ethylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(ethylamino)-1,1-dioxothiolan-3-ol
PubChem CID6484129
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name4-(ethylamino)-1,1-dioxothiolan-3-ol
SMILESCCNC1CS(=O)(=O)CC1O
InChIInChI=1S/C6H13NO3S/c1-2-7-5-3-11(9,10)4-6(5)8/h5-8H,2-4H2,1H3
InChIKeyYXUFFWJIYMWWIG-UHFFFAOYSA-N
XLogP-1.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(ethylamino)-1,1-dioxothiolan-3-ol (CID 6484129) is 4-(ethylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(ethylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(ethylamino)-1,1-dioxothiolan-3-ol is CCNC1CS(=O)(=O)CC1O.
What is the InChIKey of 4-(ethylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is YXUFFWJIYMWWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-2-7-5-3-11(9,10)4-6(5)8/h5-8H,2-4H2,1H3.
What are the key properties of 4-(ethylamino)-1,1-dioxothiolan-3-ol?
4-(ethylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 179.24 g/mol, XLogP of -1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 6484129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).