5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide

C11H18N2O3S2 — CID 106065205

IUPAC5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2CCCOC2)s1
InChIInChI=1S/C11H18N2O3S2/c1-12-7-10-4-5-11(17-10)18(14,15)13-9-3-2-6-16-8-9/h4-5,9,12-13H,2-3,6-8H2,1H3
InChIKeyBERVKWNSAVAGDY-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.92
Rot. Bonds5

About 5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide

5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide (PubChem CID 106065205) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
PubChem CID106065205
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2CCCOC2)s1
InChIInChI=1S/C11H18N2O3S2/c1-12-7-10-4-5-11(17-10)18(14,15)13-9-3-2-6-16-8-9/h4-5,9,12-13H,2-3,6-8H2,1H3
InChIKeyBERVKWNSAVAGDY-UHFFFAOYSA-N
XLogP0.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 106072321
5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 114135005
5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065228
5-(methylaminomethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551883
5-(methylaminomethyl)-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
CID 106054466
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087833
5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092837
3-chloro-4-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065296
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
N-(2,2-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071372
2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065308
5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081562

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide (CID 106065205) is 5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)NC2CCCOC2)s1.
What is the InChIKey of 5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide?
The InChIKey is BERVKWNSAVAGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-12-7-10-4-5-11(17-10)18(14,15)13-9-3-2-6-16-8-9/h4-5,9,12-13H,2-3,6-8H2,1H3.
What are the key properties of 5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide?
5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106065205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).