3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol

C10H21NO3S — CID 104549861

IUPAC3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CC(C)CS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-4-10(12,5-2)8-11-6-9(3)7-15(11,13)14/h9,12H,4-8H2,1-3H3
InChIKeyRNKLGCXOFPJCEE-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.82
Rot. Bonds4

About 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol

3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol (PubChem CID 104549861) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol
PubChem CID104549861
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CC(C)CS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-4-10(12,5-2)8-11-6-9(3)7-15(11,13)14/h9,12H,4-8H2,1-3H3
InChIKeyRNKLGCXOFPJCEE-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 164634547
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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-(3-Methylbutylsulfonyl)pyrrolidin-3-ol
CID 63857865
1-Methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol
CID 65146727
(3R)-1-(3-methylbutylsulfonyl)pyrrolidin-3-ol
CID 66291458
(3R*,4R*)-1-(cyclopropylsulfonyl)-3-isopropyl-4-methyl-3-pyrrolidinol
CID 72924220
(3S)-1-(3-methylbutylsulfonyl)pyrrolidin-3-ol
CID 79031180
4-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide
CID 79386886

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol?
The IUPAC name of 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol (CID 104549861) is 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol?
The canonical SMILES for 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol is CCC(O)(CC)CN1CC(C)CS1(=O)=O.
What is the InChIKey of 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol?
The InChIKey is RNKLGCXOFPJCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-4-10(12,5-2)8-11-6-9(3)7-15(11,13)14/h9,12H,4-8H2,1-3H3.
What are the key properties of 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol?
3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol has a molecular weight of 235.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pentan-3-ol is sourced from PubChem (CID 104549861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).