5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide

C12H20N2O3S2 — CID 110643124

IUPAC5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NOCCN2CCCC2)s1
InChIInChI=1S/C12H20N2O3S2/c1-2-11-5-6-12(18-11)19(15,16)13-17-10-9-14-7-3-4-8-14/h5-6,13H,2-4,7-10H2,1H3
InChIKeyUTVIGCUVDWYWCT-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.62
Rot. Bonds7

About 5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide

5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide (PubChem CID 110643124) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide
PubChem CID110643124
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NOCCN2CCCC2)s1
InChIInChI=1S/C12H20N2O3S2/c1-2-11-5-6-12(18-11)19(15,16)13-17-10-9-14-7-3-4-8-14/h5-6,13H,2-4,7-10H2,1H3
InChIKeyUTVIGCUVDWYWCT-UHFFFAOYSA-N
XLogP1.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 110643099
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 110643116
1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methoxypropyl)piperazine
CID 113073430
5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42389169
5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide
CID 110351436
N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide
CID 110642960
5-ethyl-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]thiophene-2-sulfonamide
CID 110351659
methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 86841914
5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 115613311
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide
CID 16933255

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide (CID 110643124) is 5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NOCCN2CCCC2)s1.
What is the InChIKey of 5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide?
The InChIKey is UTVIGCUVDWYWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-2-11-5-6-12(18-11)19(15,16)13-17-10-9-14-7-3-4-8-14/h5-6,13H,2-4,7-10H2,1H3.
What are the key properties of 5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide?
5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide is sourced from PubChem (CID 110643124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).