N-(5-propanoylthiophen-3-yl)methanesulfonamide

C8H11NO3S2 — CID 58736460

IUPACN-(5-propanoylthiophen-3-yl)methanesulfonamide
SMILESCCC(=O)c1cc(NS(C)(=O)=O)cs1
InChIInChI=1S/C8H11NO3S2/c1-3-7(10)8-4-6(5-13-8)9-14(2,11)12/h4-5,9H,3H2,1-2H3
InChIKeyKSDVMOWTHHQZDD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.71
Rot. Bonds4

About N-(5-propanoylthiophen-3-yl)methanesulfonamide

N-(5-propanoylthiophen-3-yl)methanesulfonamide (PubChem CID 58736460) has the molecular formula C8H11NO3S2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(5-propanoylthiophen-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-propanoylthiophen-3-yl)methanesulfonamide
PubChem CID58736460
Molecular FormulaC8H11NO3S2
Molecular Weight233.31 g/mol
Exact Mass233.02
IUPAC NameN-(5-propanoylthiophen-3-yl)methanesulfonamide
SMILESCCC(=O)c1cc(NS(C)(=O)=O)cs1
InChIInChI=1S/C8H11NO3S2/c1-3-7(10)8-4-6(5-13-8)9-14(2,11)12/h4-5,9H,3H2,1-2H3
InChIKeyKSDVMOWTHHQZDD-UHFFFAOYSA-N
XLogP1.71
TPSA63.24 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Phenylsulfamoyl)thiophene-2-carboxamide
CID 6486039
[3-[(2-Acetylthiophen-3-yl)sulfonylamino]phenyl]boronic acid
CID 52940001
N-(2-acetylthiophen-3-yl)benzenesulfonamide
CID 172436888
1-(4-Aminothiophen-2-yl)-2,2,2-trifluoroethanone
CID 82375054
1-(3-Amino-5-methylthiophen-2-yl)ethanone
CID 18731826
N-(5-acetylthiophen-3-yl)acetamide
CID 12813863
1-(4-Aminothiophen-2-yl)ethanone
CID 14913273
N-(5-formylthiophen-3-yl)methanesulfonamide
CID 15077555
1-(5-Ethylsulfonyl-4-nitrothiophen-2-yl)ethanone
CID 20213699
1-(4-Isocyanothiophen-2-yl)-2-methylpropan-1-one
CID 20800710
1-(4-Aminothiophen-2-yl)propan-1-one
CID 58736001
N-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide
CID 58736331

Frequently Asked Questions

What is the IUPAC name of N-(5-propanoylthiophen-3-yl)methanesulfonamide?
The IUPAC name of N-(5-propanoylthiophen-3-yl)methanesulfonamide (CID 58736460) is N-(5-propanoylthiophen-3-yl)methanesulfonamide.
What is the SMILES notation for N-(5-propanoylthiophen-3-yl)methanesulfonamide?
The canonical SMILES for N-(5-propanoylthiophen-3-yl)methanesulfonamide is CCC(=O)c1cc(NS(C)(=O)=O)cs1.
What is the InChIKey of N-(5-propanoylthiophen-3-yl)methanesulfonamide?
The InChIKey is KSDVMOWTHHQZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S2/c1-3-7(10)8-4-6(5-13-8)9-14(2,11)12/h4-5,9H,3H2,1-2H3.
What are the key properties of N-(5-propanoylthiophen-3-yl)methanesulfonamide?
N-(5-propanoylthiophen-3-yl)methanesulfonamide has a molecular weight of 233.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propanoylthiophen-3-yl)methanesulfonamide is sourced from PubChem (CID 58736460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).