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

C12H20N2O3S2 — CID 106092955

IUPAC4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NCCC2CCOC2)c1
InChIInChI=1S/C12H20N2O3S2/c1-13-7-11-6-12(18-9-11)19(15,16)14-4-2-10-3-5-17-8-10/h6,9-10,13-14H,2-5,7-8H2,1H3
InChIKeyIZTGRUZEFKRQPA-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.17
Rot. Bonds7

About 4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide

4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106092955) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106092955
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NCCC2CCOC2)c1
InChIInChI=1S/C12H20N2O3S2/c1-13-7-11-6-12(18-9-11)19(15,16)14-4-2-10-3-5-17-8-10/h6,9-10,13-14H,2-5,7-8H2,1H3
InChIKeyIZTGRUZEFKRQPA-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

4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 106063055
5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092837
2-bromo-4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106092876
2-fluoro-5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106092820
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
N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106092862
4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
CID 61300759
N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 114109930
4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 106031006
4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 79357755
N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106092805

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide (CID 106092955) is 4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)NCCC2CCOC2)c1.
What is the InChIKey of 4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is IZTGRUZEFKRQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-13-7-11-6-12(18-9-11)19(15,16)14-4-2-10-3-5-17-8-10/h6,9-10,13-14H,2-5,7-8H2,1H3.
What are the key properties of 4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide?
4-(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 4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106092955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).