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

C8H16N2O3S — CID 61348842

IUPAC2-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCO[C@H]1CNCC1N1CCCS1(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-13-8-6-9-5-7(8)10-3-2-4-14(10,11)12/h7-9H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyGZYYISZWRUZBAE-MQWKRIRWSA-N
MW220.29 g/mol
LogP-0.99
Rot. Bonds2

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

2-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 61348842) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID61348842
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name2-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCO[C@H]1CNCC1N1CCCS1(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-13-8-6-9-5-7(8)10-3-2-4-14(10,11)12/h7-9H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyGZYYISZWRUZBAE-MQWKRIRWSA-N
XLogP-0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.99
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]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-thiazolidine 1,1-dioxide (CID 61348842) is 2-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-thiazolidine 1,1-dioxide is CO[C@H]1CNCC1N1CCCS1(=O)=O.
What is the InChIKey of 2-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is GZYYISZWRUZBAE-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-13-8-6-9-5-7(8)10-3-2-4-14(10,11)12/h7-9H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of 2-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-thiazolidine 1,1-dioxide?
2-[(4S)-4-methoxypyrrolidin-3-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 220.29 g/mol, XLogP of -0.99, 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]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 61348842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).