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

C7H15NO3S — CID 104549107

IUPAC1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
SMILESCC(O)CN1CC(C)CS1(=O)=O
InChIInChI=1S/C7H15NO3S/c1-6-3-8(4-7(2)9)12(10,11)5-6/h6-7,9H,3-5H2,1-2H3
InChIKeyKNSVNSQRJYBANJ-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.35
Rot. Bonds2

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

1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol (PubChem CID 104549107) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
PubChem CID104549107
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
SMILESCC(O)CN1CC(C)CS1(=O)=O
InChIInChI=1S/C7H15NO3S/c1-6-3-8(4-7(2)9)12(10,11)5-6/h6-7,9H,3-5H2,1-2H3
InChIKeyKNSVNSQRJYBANJ-UHFFFAOYSA-N
XLogP-0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Pyrrolidine-1-sulfonyl)propan-2-ol
CID 121553608
(3R,4R)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-3-ol
CID 132267396
(3S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-3-ol
CID 132267397
(3R,4R)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
CID 160114144
(3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
CID 161168448
1,1,1-Trifluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
CID 105649121
3-(1,1-Dioxo-1,2-thiazolidin-2-yl)-1,1-difluoropropan-2-ol
CID 105649145
1,1-Difluoro-3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
CID 105649223
2-(3-Fluoro-2-hydroxypropyl)-4-methyl-1lambda6,2-thiazolidine-1,1-dione
CID 165597489
2-(3-Fluoro-2-hydroxypropyl)-3-methyl-1lambda6,2-thiazolidine-1,1-dione
CID 165599819
2-(3-Fluoro-2-hydroxypropyl)-1lambda6,2-thiazolidine-1,1-dione
CID 165604904
2-Isothiazolidineethanol, 1,1-dioxide
CID 43620085

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol?
The IUPAC name of 1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol (CID 104549107) is 1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol?
The canonical SMILES for 1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol is CC(O)CN1CC(C)CS1(=O)=O.
What is the InChIKey of 1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol?
The InChIKey is KNSVNSQRJYBANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-6-3-8(4-7(2)9)12(10,11)5-6/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol?
1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol has a molecular weight of 193.27 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol is sourced from PubChem (CID 104549107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).