3-(5-methylsulfonylthiophen-3-yl)propanamide

C8H11NO3S2 — CID 173100954

IUPAC3-(5-methylsulfonylthiophen-3-yl)propanamide
SMILESCS(=O)(=O)c1cc(CCC(N)=O)cs1
InChIInChI=1S/C8H11NO3S2/c1-14(11,12)8-4-6(5-13-8)2-3-7(9)10/h4-5H,2-3H2,1H3,(H2,9,10)
InChIKeyMDUPNVGKRIUOPK-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.57
Rot. Bonds4

About 3-(5-methylsulfonylthiophen-3-yl)propanamide

3-(5-methylsulfonylthiophen-3-yl)propanamide (PubChem CID 173100954) has the molecular formula C8H11NO3S2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(5-methylsulfonylthiophen-3-yl)propanamide.

Molecular Properties

Compound Name3-(5-methylsulfonylthiophen-3-yl)propanamide
PubChem CID173100954
Molecular FormulaC8H11NO3S2
Molecular Weight233.31 g/mol
Exact Mass233.02
IUPAC Name3-(5-methylsulfonylthiophen-3-yl)propanamide
SMILESCS(=O)(=O)c1cc(CCC(N)=O)cs1
InChIInChI=1S/C8H11NO3S2/c1-14(11,12)8-4-6(5-13-8)2-3-7(9)10/h4-5H,2-3H2,1H3,(H2,9,10)
InChIKeyMDUPNVGKRIUOPK-UHFFFAOYSA-N
XLogP0.57
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Thiopheneacetamide, alpha-(1-methylethyl)-
CID 3056607
2-(Thiophen-3-yl)butanimidic acid
CID 3056614
N-methyl-N-propylsulfonyl-3-thiophen-3-ylpropanamide
CID 71859563
N-methyl-N-propan-2-ylsulfonyl-3-thiophen-3-ylpropanamide
CID 71974767
N-methyl-N-methylsulfonyl-3-thiophen-3-ylpropanamide
CID 71974832
N-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide
CID 71973048
5-Thiophen-3-ylpentanamide
CID 11171370
2,3-Dihydro-2-n-propylthieno[2,3-b]thiophene-2-carboxamide-1,1-dioxide
CID 19759893
2,3-Dihydro-2-methylthieno[2,3-b]thiophene-2-carboxamide-1,1-dioxide
CID 19759896
5-methyl-4H-thieno[2,3-b]thiophene-5-carboxamide
CID 19759910
3-Thiophen-3-ylpropanamide
CID 20389361
Potassium 2-amino-2-oxo-1-thiophen-3-ylethanesulfonate
CID 21329459

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylsulfonylthiophen-3-yl)propanamide?
The IUPAC name of 3-(5-methylsulfonylthiophen-3-yl)propanamide (CID 173100954) is 3-(5-methylsulfonylthiophen-3-yl)propanamide.
What is the SMILES notation for 3-(5-methylsulfonylthiophen-3-yl)propanamide?
The canonical SMILES for 3-(5-methylsulfonylthiophen-3-yl)propanamide is CS(=O)(=O)c1cc(CCC(N)=O)cs1.
What is the InChIKey of 3-(5-methylsulfonylthiophen-3-yl)propanamide?
The InChIKey is MDUPNVGKRIUOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S2/c1-14(11,12)8-4-6(5-13-8)2-3-7(9)10/h4-5H,2-3H2,1H3,(H2,9,10).
What are the key properties of 3-(5-methylsulfonylthiophen-3-yl)propanamide?
3-(5-methylsulfonylthiophen-3-yl)propanamide has a molecular weight of 233.31 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylsulfonylthiophen-3-yl)propanamide is sourced from PubChem (CID 173100954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).