5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide

C11H18N2O3S2 — CID 43520923

IUPAC5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)NCC2CCCO2)s1
InChIInChI=1S/C11H18N2O3S2/c12-6-5-10-3-4-11(17-10)18(14,15)13-8-9-2-1-7-16-9/h3-4,9,13H,1-2,5-8,12H2
InChIKeyABLUGLRWOCCHKS-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.71
Rot. Bonds6

About 5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 43520923) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID43520923
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)NCC2CCCO2)s1
InChIInChI=1S/C11H18N2O3S2/c12-6-5-10-3-4-11(17-10)18(14,15)13-8-9-2-1-7-16-9/h3-4,9,13H,1-2,5-8,12H2
InChIKeyABLUGLRWOCCHKS-UHFFFAOYSA-N
XLogP0.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide
CID 61436431
N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 92723328
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991395
4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119296365
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2939658
5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 80741793
4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682480
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337
4-(2-chloroethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43662744

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide (CID 43520923) is 5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide is NCCc1ccc(S(=O)(=O)NCC2CCCO2)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is ABLUGLRWOCCHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c12-6-5-10-3-4-11(17-10)18(14,15)13-8-9-2-1-7-16-9/h3-4,9,13H,1-2,5-8,12H2.
What are the key properties of 5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 43520923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).