3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol

C9H19NO3S — CID 104549873

IUPAC3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CCCS1(=O)=O
InChIInChI=1S/C9H19NO3S/c1-3-9(11,4-2)8-10-6-5-7-14(10,12)13/h11H,3-8H2,1-2H3
InChIKeyIPOZGWVLCCHHAK-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.57
Rot. Bonds4

About 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol

3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol (PubChem CID 104549873) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol
PubChem CID104549873
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CCCS1(=O)=O
InChIInChI=1S/C9H19NO3S/c1-3-9(11,4-2)8-10-6-5-7-14(10,12)13/h11H,3-8H2,1-2H3
InChIKeyIPOZGWVLCCHHAK-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-Methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol
CID 113356087
(3R*,4R*)-3-isopropyl-1-(isopropylsulfonyl)-4-methyl-3-pyrrolidinol
CID 72882368
1-(Cyclohexylmethylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871356
1-Methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol
CID 162475439
1-Methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol
CID 65146727
(3R*,4R*)-1-(cyclopropylsulfonyl)-3-isopropyl-4-methyl-3-pyrrolidinol
CID 72924220
4-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-methylpropan-2-ol
CID 83818343
1-(1-Aminobutan-2-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103355757
1-(1-Aminopropan-2-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103355765

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol?
The IUPAC name of 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol (CID 104549873) is 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol?
The canonical SMILES for 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol is CCC(O)(CC)CN1CCCS1(=O)=O.
What is the InChIKey of 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol?
The InChIKey is IPOZGWVLCCHHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-9(11,4-2)8-10-6-5-7-14(10,12)13/h11H,3-8H2,1-2H3.
What are the key properties of 3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol?
3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol has a molecular weight of 221.32 g/mol, XLogP of 0.57, 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-1,2-thiazolidin-2-yl)methyl]pentan-3-ol is sourced from PubChem (CID 104549873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).