4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide

C11H19N3O2S2 — CID 114140871

IUPAC4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NC2CCN(C)C2)c1
InChIInChI=1S/C11H19N3O2S2/c1-12-6-9-5-11(17-8-9)18(15,16)13-10-3-4-14(2)7-10/h5,8,10,12-13H,3-4,6-7H2,1-2H3
InChIKeyIJMKTPMGEBFKBJ-UHFFFAOYSA-N
MW289.43 g/mol
LogP0.45
Rot. Bonds5

About 4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide

4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide (PubChem CID 114140871) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide
PubChem CID114140871
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NC2CCN(C)C2)c1
InChIInChI=1S/C11H19N3O2S2/c1-12-6-9-5-11(17-8-9)18(15,16)13-10-3-4-14(2)7-10/h5,8,10,12-13H,3-4,6-7H2,1-2H3
InChIKeyIJMKTPMGEBFKBJ-UHFFFAOYSA-N
XLogP0.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylaminomethyl)-N-(1-propylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106001510
5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 61356204
4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106090814
N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065974
4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081596
N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106093112
N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine
CID 79166239
N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065876
4-fluoro-3-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052530
4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091472
4-amino-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 61300929
4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 106063055

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide (CID 114140871) is 4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)NC2CCN(C)C2)c1.
What is the InChIKey of 4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide?
The InChIKey is IJMKTPMGEBFKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-12-6-9-5-11(17-8-9)18(15,16)13-10-3-4-14(2)7-10/h5,8,10,12-13H,3-4,6-7H2,1-2H3.
What are the key properties of 4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide?
4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide has a molecular weight of 289.43 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114140871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).