4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol

C6H14N2O3S — CID 2772237

IUPAC4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol
SMILESNCCNC1CS(=O)(=O)CC1O
InChIInChI=1S/C6H14N2O3S/c7-1-2-8-5-3-12(10,11)4-6(5)9/h5-6,8-9H,1-4,7H2
InChIKeyTVJAKFQXZATUHV-UHFFFAOYSA-N
MW194.26 g/mol
LogP-2.31
Rot. Bonds3

About 4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol

4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol (PubChem CID 2772237) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol
PubChem CID2772237
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol
SMILESNCCNC1CS(=O)(=O)CC1O
InChIInChI=1S/C6H14N2O3S/c7-1-2-8-5-3-12(10,11)4-6(5)9/h5-6,8-9H,1-4,7H2
InChIKeyTVJAKFQXZATUHV-UHFFFAOYSA-N
XLogP-2.31
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-2.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol (CID 2772237) is 4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol is NCCNC1CS(=O)(=O)CC1O.
What is the InChIKey of 4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is TVJAKFQXZATUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c7-1-2-8-5-3-12(10,11)4-6(5)9/h5-6,8-9H,1-4,7H2.
What are the key properties of 4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol?
4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 194.26 g/mol, XLogP of -2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 2772237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).