N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide

C12H15N3O2S2 — CID 91629003

IUPACN-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1ccnc1C1CC1)c1cccs1
InChIInChI=1S/C12H15N3O2S2/c16-19(17,11-2-1-9-18-11)14-6-8-15-7-5-13-12(15)10-3-4-10/h1-2,5,7,9-10,14H,3-4,6,8H2
InChIKeyBBVGVUVKANVXDT-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.80
Rot. Bonds6

About N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide

N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 91629003) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID91629003
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1ccnc1C1CC1)c1cccs1
InChIInChI=1S/C12H15N3O2S2/c16-19(17,11-2-1-9-18-11)14-6-8-15-7-5-13-12(15)10-3-4-10/h1-2,5,7,9-10,14H,3-4,6,8H2
InChIKeyBBVGVUVKANVXDT-UHFFFAOYSA-N
XLogP1.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 122243762
N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 72718696
N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 42226747
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide
CID 94197160
N-[2-(2-methylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
CID 47206387
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[2-(cyclopentylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110345804
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide
CID 91628946
N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 34247451
N-(2-aminooxyethyl)thiophene-2-sulfonamide
CID 39245279
N-[2-(1,3-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110722045

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide (CID 91629003) is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCn1ccnc1C1CC1)c1cccs1.
What is the InChIKey of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is BBVGVUVKANVXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c16-19(17,11-2-1-9-18-11)14-6-8-15-7-5-13-12(15)10-3-4-10/h1-2,5,7,9-10,14H,3-4,6,8H2.
What are the key properties of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 91629003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).