N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide

C11H16N2O3S2 — CID 110871416

IUPACN-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C11H16N2O3S2/c1-8-3-4-11(17-8)18(15,16)12-10-5-6-13(7-10)9(2)14/h3-4,10,12H,5-7H2,1-2H3
InChIKeyKYGOMSWLRVMWLQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.96
Rot. Bonds3

About N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide

N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide (PubChem CID 110871416) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide
PubChem CID110871416
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC NameN-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C11H16N2O3S2/c1-8-3-4-11(17-8)18(15,16)12-10-5-6-13(7-10)9(2)14/h3-4,10,12H,5-7H2,1-2H3
InChIKeyKYGOMSWLRVMWLQ-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide
CID 39966135
N-cyclopentyl-5-methylthiophene-2-sulfonamide
CID 39792230
N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 110871404
5-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 110726893
N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide
CID 114295850
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide
CID 127470974
N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492
5-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-2-sulfonamide
CID 75393016
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 2815498
N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide
CID 136543326
methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 86841914
ethyl (3S)-3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pyrrolidine-1-carboxylate
CID 124853545

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide (CID 110871416) is N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide is CC(=O)N1CCC(NS(=O)(=O)c2ccc(C)s2)C1.
What is the InChIKey of N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide?
The InChIKey is KYGOMSWLRVMWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-8-3-4-11(17-8)18(15,16)12-10-5-6-13(7-10)9(2)14/h3-4,10,12H,5-7H2,1-2H3.
What are the key properties of N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide?
N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide has a molecular weight of 288.39 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 110871416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).