(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol

C9H19NO4S — CID 164634012

IUPAC(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)CN1CCCS1(=O)=O
InChIInChI=1S/C9H19NO4S/c1-8(2)14-7-9(11)6-10-4-3-5-15(10,12)13/h8-9,11H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyATSSBVGXEBWOAB-VIFPVBQESA-N
MW237.32 g/mol
LogP-0.19
Rot. Bonds5

About (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol

(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol (PubChem CID 164634012) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol
PubChem CID164634012
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)CN1CCCS1(=O)=O
InChIInChI=1S/C9H19NO4S/c1-8(2)14-7-9(11)6-10-4-3-5-15(10,12)13/h8-9,11H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyATSSBVGXEBWOAB-VIFPVBQESA-N
XLogP-0.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol (CID 164634012) is (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@@H](O)CN1CCCS1(=O)=O.
What is the InChIKey of (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol?
The InChIKey is ATSSBVGXEBWOAB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO4S/c1-8(2)14-7-9(11)6-10-4-3-5-15(10,12)13/h8-9,11H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol?
(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol has a molecular weight of 237.32 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 164634012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).