3-(cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one

C11H13NO3S2 — CID 2819315

IUPAC3-(cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESO=C1CS(=O)(=O)C(c2cccs2)N1CC1CC1
InChIInChI=1S/C11H13NO3S2/c13-10-7-17(14,15)11(9-2-1-5-16-9)12(10)6-8-3-4-8/h1-2,5,8,11H,3-4,6-7H2
InChIKeyODRSDFPANDGZHT-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.41
Rot. Bonds3

About 3-(cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one

3-(cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one (PubChem CID 2819315) has the molecular formula C11H13NO3S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one
PubChem CID2819315
Molecular FormulaC11H13NO3S2
Molecular Weight271.36 g/mol
Exact Mass271.03
IUPAC Name3-(cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESO=C1CS(=O)(=O)C(c2cccs2)N1CC1CC1
InChIInChI=1S/C11H13NO3S2/c13-10-7-17(14,15)11(9-2-1-5-16-9)12(10)6-8-3-4-8/h1-2,5,8,11H,3-4,6-7H2
InChIKeyODRSDFPANDGZHT-UHFFFAOYSA-N
XLogP1.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-[(thiophen-2-yl)methyl]acetamide
CID 4962388
2-Sulfanylidene-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 233540
3-Propan-2-yl-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3551078
2-cyclopropylsulfonyl-1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone
CID 138012655
(2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 164638421
2-methyl-1-[(4S)-2-sulfanylidene-4-thiophen-2-yl-1,3-thiazolidin-3-yl]propan-1-one
CID 166446512
2-Thiophen-2-yl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 3819256
2-ethylsulfonyl-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide
CID 128966808
N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-methylsulfonylacetamide
CID 128974769
2-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 136512004
1,1-dioxo-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
CID 136513409
2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 136562321

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one (CID 2819315) is 3-(cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one is O=C1CS(=O)(=O)C(c2cccs2)N1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The InChIKey is ODRSDFPANDGZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S2/c13-10-7-17(14,15)11(9-2-1-5-16-9)12(10)6-8-3-4-8/h1-2,5,8,11H,3-4,6-7H2.
What are the key properties of 3-(cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one?
3-(cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one has a molecular weight of 271.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2819315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).