2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide

C9H18N2O3S — CID 79589586

IUPAC2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCO[C@H]1CNCC1N1CC(C)CS1(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-7-5-11(15(12,13)6-7)8-3-10-4-9(8)14-2/h7-10H,3-6H2,1-2H3/t7?,8?,9-/m0/s1
InChIKeyISZJUUYBTQOFSC-HACHORDNSA-N
MW234.32 g/mol
LogP-0.75
Rot. Bonds2

About 2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide

2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 79589586) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID79589586
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCO[C@H]1CNCC1N1CC(C)CS1(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-7-5-11(15(12,13)6-7)8-3-10-4-9(8)14-2/h7-10H,3-6H2,1-2H3/t7?,8?,9-/m0/s1
InChIKeyISZJUUYBTQOFSC-HACHORDNSA-N
XLogP-0.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide (CID 79589586) is 2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide is CO[C@H]1CNCC1N1CC(C)CS1(=O)=O.
What is the InChIKey of 2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is ISZJUUYBTQOFSC-HACHORDNSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-7-5-11(15(12,13)6-7)8-3-10-4-9(8)14-2/h7-10H,3-6H2,1-2H3/t7?,8?,9-/m0/s1.
What are the key properties of 2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide?
2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 234.32 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 79589586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).