2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide

C8H11NO2S2 — CID 82127178

IUPAC2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1cccs1
InChIInChI=1S/C8H11NO2S2/c10-13(11)6-2-4-9(13)7-8-3-1-5-12-8/h1,3,5H,2,4,6-7H2
InChIKeyQCQXFTCJFZTZDX-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.28
Rot. Bonds2

About 2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide

2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 82127178) has the molecular formula C8H11NO2S2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID82127178
Molecular FormulaC8H11NO2S2
Molecular Weight217.31 g/mol
Exact Mass217.02
IUPAC Name2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1cccs1
InChIInChI=1S/C8H11NO2S2/c10-13(11)6-2-4-9(13)7-8-3-1-5-12-8/h1,3,5H,2,4,6-7H2
InChIKeyQCQXFTCJFZTZDX-UHFFFAOYSA-N
XLogP1.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 60523011
3-(1,1-dioxothiazinan-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110687853
3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiophene-2-carboxylic acid
CID 63639692
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
1-(2-bromoethyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 80667707
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
CID 110721392
4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
CID 60679812
2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide
CID 82130195
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18163426
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
1-(thiophen-2-ylmethyl)piperazine
CID 566208

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide (CID 82127178) is 2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1Cc1cccs1.
What is the InChIKey of 2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is QCQXFTCJFZTZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S2/c10-13(11)6-2-4-9(13)7-8-3-1-5-12-8/h1,3,5H,2,4,6-7H2.
What are the key properties of 2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide?
2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 217.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 82127178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).