5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide

C12H20N2O3S2 — CID 106092837

IUPAC5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCC2CCOC2)s1
InChIInChI=1S/C12H20N2O3S2/c1-13-8-11-2-3-12(18-11)19(15,16)14-6-4-10-5-7-17-9-10/h2-3,10,13-14H,4-9H2,1H3
InChIKeyZXCVWQBAMXSKOC-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.17
Rot. Bonds7

About 5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide

5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106092837) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106092837
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCC2CCOC2)s1
InChIInChI=1S/C12H20N2O3S2/c1-13-8-11-2-3-12(18-11)19(15,16)14-6-4-10-5-7-17-9-10/h2-3,10,13-14H,4-9H2,1H3
InChIKeyZXCVWQBAMXSKOC-UHFFFAOYSA-N
XLogP1.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106092862
4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092955
5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 106072321
5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065205
2-fluoro-5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106092820
2-bromo-4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106092876
N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106064530
5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092930
5-(ethylaminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092829
5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 106089015
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055583
5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
CID 106054466

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide (CID 106092837) is 5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCCC2CCOC2)s1.
What is the InChIKey of 5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is ZXCVWQBAMXSKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-13-8-11-2-3-12(18-11)19(15,16)14-6-4-10-5-7-17-9-10/h2-3,10,13-14H,4-9H2,1H3.
What are the key properties of 5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide?
5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106092837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).