2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide

C9H16N2O2S — CID 114694807

IUPAC2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CC1=CCNCC1
InChIInChI=1S/C9H16N2O2S/c12-14(13)7-1-6-11(14)8-9-2-4-10-5-3-9/h2,10H,1,3-8H2
InChIKeyBKMVXXCEMRYWII-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.06
Rot. Bonds2

About 2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide

2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 114694807) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID114694807
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CC1=CCNCC1
InChIInChI=1S/C9H16N2O2S/c12-14(13)7-1-6-11(14)8-9-2-4-10-5-3-9/h2,10H,1,3-8H2
InChIKeyBKMVXXCEMRYWII-UHFFFAOYSA-N
XLogP-0.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1,2,3,6-tetrahydropyridin-4-ylmethyl)azepane
CID 114694805
8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 114694767
[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine
CID 43619971
(1,1-dioxo-1,2-thiazolidin-2-yl)methanol
CID 130129909
2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 47293917
4-[(1,1-dioxothiazinan-2-yl)methyl]aniline
CID 83824828
2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide
CID 134095007
2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 79255737
4-ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiophene-2-carboxylic acid
CID 63639692
1-morpholin-4-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanone
CID 117125596
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120882532

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide (CID 114694807) is 2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1CC1=CCNCC1.
What is the InChIKey of 2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is BKMVXXCEMRYWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c12-14(13)7-1-6-11(14)8-9-2-4-10-5-3-9/h2,10H,1,3-8H2.
What are the key properties of 2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide?
2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 216.31 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 114694807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).