2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide

C11H20N2O2S2 — CID 114141131

IUPAC2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C11H20N2O2S2/c1-9(2)4-6-13-17(14,15)11-5-7-16-10(11)8-12-3/h5,7,9,12-13H,4,6,8H2,1-3H3
InChIKeyLSLTZSWHIZBWSC-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.79
Rot. Bonds7

About 2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide

2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide (PubChem CID 114141131) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
PubChem CID114141131
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C11H20N2O2S2/c1-9(2)4-6-13-17(14,15)11-5-7-16-10(11)8-12-3/h5,7,9,12-13H,4,6,8H2,1-3H3
InChIKeyLSLTZSWHIZBWSC-UHFFFAOYSA-N
XLogP1.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106059096
2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide
CID 106017003
N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383
2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide
CID 107818682
N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114142024
N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106050753
2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide
CID 115522943
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106095186
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141493
3-(4-methylpentylsulfamoyl)thiophene-2-carboxylic acid
CID 60745563

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide (CID 114141131) is 2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)NCCC(C)C.
What is the InChIKey of 2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide?
The InChIKey is LSLTZSWHIZBWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-9(2)4-6-13-17(14,15)11-5-7-16-10(11)8-12-3/h5,7,9,12-13H,4,6,8H2,1-3H3.
What are the key properties of 2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide?
2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide has a molecular weight of 276.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114141131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).