3-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol

C8H18N2O3S — CID 84788738

IUPAC3-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol
SMILESCC(C)N1CCN(CCCO)S1(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-8(2)10-6-5-9(4-3-7-11)14(10,12)13/h8,11H,3-7H2,1-2H3
InChIKeyCHGYEQATLJWDAI-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.36
Rot. Bonds4

About 3-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol

3-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol (PubChem CID 84788738) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol
PubChem CID84788738
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name3-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol
SMILESCC(C)N1CCN(CCCO)S1(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-8(2)10-6-5-9(4-3-7-11)14(10,12)13/h8,11H,3-7H2,1-2H3
InChIKeyCHGYEQATLJWDAI-UHFFFAOYSA-N
XLogP-0.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
The IUPAC name of 3-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol (CID 84788738) is 3-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol is CC(C)N1CCN(CCCO)S1(=O)=O.
What is the InChIKey of 3-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
The InChIKey is CHGYEQATLJWDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-8(2)10-6-5-9(4-3-7-11)14(10,12)13/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol?
3-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol has a molecular weight of 222.31 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)propan-1-ol is sourced from PubChem (CID 84788738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).