2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide

C8H10ClNO2S2 — CID 60523011

IUPAC2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO2S2/c9-8-3-2-7(13-8)6-10-4-1-5-14(10,11)12/h2-3H,1,4-6H2
InChIKeyKLCYEGOETQQXLK-UHFFFAOYSA-N
MW251.76 g/mol
LogP1.94
Rot. Bonds2

About 2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide

2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 60523011) has the molecular formula C8H10ClNO2S2 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID60523011
Molecular FormulaC8H10ClNO2S2
Molecular Weight251.76 g/mol
Exact Mass250.98
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO2S2/c9-8-3-2-7(13-8)6-10-4-1-5-14(10,11)12/h2-3H,1,4-6H2
InChIKeyKLCYEGOETQQXLK-UHFFFAOYSA-N
XLogP1.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thiophen-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide
CID 82127178
3-[5-[(1,1-dioxothiazinan-2-yl)methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 116816689
2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide
CID 134095007
2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide
CID 82130195
3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiophene-2-carboxylic acid
CID 63639692
1-(2-chloroethyl)-4-[(5-chlorothiophen-2-yl)methyl]-1,4-diazepane
CID 63388084
5-benzyl-1,4,5-oxathiazocane 4,4-dioxide
CID 24816470
2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 31011197
1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone
CID 62025819
2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide
CID 114694807
2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine
CID 115841541
2-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 43620082

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide (CID 60523011) is 2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is KLCYEGOETQQXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S2/c9-8-3-2-7(13-8)6-10-4-1-5-14(10,11)12/h2-3H,1,4-6H2.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 251.76 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 60523011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).