2-[(4-methoxypiperidin-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide

C10H20N2O3S — CID 58940984

IUPAC2-[(4-methoxypiperidin-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCOC1(CN2CCCS2(=O)=O)CCNCC1
InChIInChI=1S/C10H20N2O3S/c1-15-10(3-5-11-6-4-10)9-12-7-2-8-16(12,13)14/h11H,2-9H2,1H3
InChIKeyXQQFMMDEOXDUQT-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.21
Rot. Bonds3

About 2-[(4-methoxypiperidin-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide

2-[(4-methoxypiperidin-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 58940984) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[(4-methoxypiperidin-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-methoxypiperidin-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID58940984
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-[(4-methoxypiperidin-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCOC1(CN2CCCS2(=O)=O)CCNCC1
InChIInChI=1S/C10H20N2O3S/c1-15-10(3-5-11-6-4-10)9-12-7-2-8-16(12,13)14/h11H,2-9H2,1H3
InChIKeyXQQFMMDEOXDUQT-UHFFFAOYSA-N
XLogP-0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypiperidin-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(4-methoxypiperidin-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide (CID 58940984) is 2-[(4-methoxypiperidin-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(4-methoxypiperidin-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(4-methoxypiperidin-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide is COC1(CN2CCCS2(=O)=O)CCNCC1.
What is the InChIKey of 2-[(4-methoxypiperidin-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is XQQFMMDEOXDUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-15-10(3-5-11-6-4-10)9-12-7-2-8-16(12,13)14/h11H,2-9H2,1H3.
What are the key properties of 2-[(4-methoxypiperidin-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
2-[(4-methoxypiperidin-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 248.35 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypiperidin-4-yl)methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 58940984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).