2,2-dimethyl-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol

C9H19NO3S — CID 104550661

IUPAC2,2-dimethyl-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol
SMILESCC1CN(CC(C)(C)CO)S(=O)(=O)C1
InChIInChI=1S/C9H19NO3S/c1-8-4-10(14(12,13)5-8)6-9(2,3)7-11/h8,11H,4-7H2,1-3H3
InChIKeyRSLWPPZHYYYCPL-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.29
Rot. Bonds3

About 2,2-dimethyl-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol

2,2-dimethyl-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol (PubChem CID 104550661) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol
PubChem CID104550661
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2,2-dimethyl-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol
SMILESCC1CN(CC(C)(C)CO)S(=O)(=O)C1
InChIInChI=1S/C9H19NO3S/c1-8-4-10(14(12,13)5-8)6-9(2,3)7-11/h8,11H,4-7H2,1-3H3
InChIKeyRSLWPPZHYYYCPL-UHFFFAOYSA-N
XLogP0.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol (CID 104550661) is 2,2-dimethyl-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol is CC1CN(CC(C)(C)CO)S(=O)(=O)C1.
What is the InChIKey of 2,2-dimethyl-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol?
The InChIKey is RSLWPPZHYYYCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8-4-10(14(12,13)5-8)6-9(2,3)7-11/h8,11H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol?
2,2-dimethyl-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol has a molecular weight of 221.32 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-ol is sourced from PubChem (CID 104550661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).