2-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol

C7H15NO3S — CID 104549053

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol
SMILESCCC(CO)N1CCCS1(=O)=O
InChIInChI=1S/C7H15NO3S/c1-2-7(6-9)8-4-3-5-12(8,10)11/h7,9H,2-6H2,1H3
InChIKeyCUEZLPZSPAFLMF-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.21
Rot. Bonds3

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol

2-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol (PubChem CID 104549053) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol
PubChem CID104549053
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol
SMILESCCC(CO)N1CCCS1(=O)=O
InChIInChI=1S/C7H15NO3S/c1-2-7(6-9)8-4-3-5-12(8,10)11/h7,9H,2-6H2,1H3
InChIKeyCUEZLPZSPAFLMF-UHFFFAOYSA-N
XLogP-0.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Hydroxymethyl)-2-methyl-1lambda6,2-thiazolidine-1,1-dione
CID 129982013
(1-Ethylsulfonyl-4-fluoropyrrolidin-2-yl)methanol
CID 127002235
[(2S,4S)-1-ethylsulfonyl-4-fluoropyrrolidin-2-yl]methanol
CID 130610122
2-(3-Fluoro-2-hydroxypropyl)-3-methyl-1lambda6,2-thiazolidine-1,1-dione
CID 165599819
(1-Methylsulfonyl-4-sulfanylpyrrolidin-2-yl)methanol
CID 22671595
[(2S)-1-ethylsulfonylpyrrolidin-2-yl]methanol
CID 28345645
N-(2-hydroxyethyl)-N-propan-2-ylethanesulfonamide
CID 43574626
2-Isothiazolidineethanol, 1,1-dioxide
CID 43620085
3-(1,1-Dioxido-2-isothiazolidinyl)-1-propanol
CID 43620088
[(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol
CID 59654487
[(2R)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol
CID 59654556
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)propan-2-ol
CID 60878767

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol (CID 104549053) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol is CCC(CO)N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol?
The InChIKey is CUEZLPZSPAFLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-2-7(6-9)8-4-3-5-12(8,10)11/h7,9H,2-6H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol has a molecular weight of 193.27 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-1-ol is sourced from PubChem (CID 104549053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).