4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide

C12H20N2O3S2 — CID 82744724

IUPAC4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)N(C)C2CCOC2)c1
InChIInChI=1S/C12H20N2O3S2/c1-3-13-7-10-6-12(18-9-10)19(15,16)14(2)11-4-5-17-8-11/h6,9,11,13H,3-5,7-8H2,1-2H3
InChIKeyRBZJRSHWZDIYRJ-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.27
Rot. Bonds6

About 4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide

4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide (PubChem CID 82744724) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
PubChem CID82744724
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)N(C)C2CCOC2)c1
InChIInChI=1S/C12H20N2O3S2/c1-3-13-7-10-6-12(18-9-10)19(15,16)14(2)11-4-5-17-8-11/h6,9,11,13H,3-5,7-8H2,1-2H3
InChIKeyRBZJRSHWZDIYRJ-UHFFFAOYSA-N
XLogP1.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 82733477
1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82749172
N-cyclopropyl-4-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-2-sulfonamide
CID 79014699
N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide
CID 82749058
4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074851
5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide
CID 82745840
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 82745858
4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 107329077
N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyridine-2-sulfonamide
CID 82745069
N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 82744478
2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 82748707
4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745836

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide (CID 82744724) is 4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide is CCNCc1csc(S(=O)(=O)N(C)C2CCOC2)c1.
What is the InChIKey of 4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide?
The InChIKey is RBZJRSHWZDIYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-3-13-7-10-6-12(18-9-10)19(15,16)14(2)11-4-5-17-8-11/h6,9,11,13H,3-5,7-8H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide?
4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 82744724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).