N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide

C15H26N2O2S2 — CID 106056840

IUPACN-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NC(C)C2CCCCC2)cc1C
InChIInChI=1S/C15H26N2O2S2/c1-11-9-15(20-14(11)10-16-3)21(18,19)17-12(2)13-7-5-4-6-8-13/h9,12-13,16-17H,4-8,10H2,1-3H3
InChIKeyZLKKXWXKFRMVBK-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.02
Rot. Bonds6

About N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide

N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106056840) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106056840
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NC(C)C2CCCCC2)cc1C
InChIInChI=1S/C15H26N2O2S2/c1-11-9-15(20-14(11)10-16-3)21(18,19)17-12(2)13-7-5-4-6-8-13/h9,12-13,16-17H,4-8,10H2,1-3H3
InChIKeyZLKKXWXKFRMVBK-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-2-sulfonamide
CID 106092072
N-(1-cyclobutylethyl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106084948
4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079604
N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 103504278
N-(1-ethoxypropan-2-yl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106054220
N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106066098
N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106068843
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106003829
5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43533409
2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106066089
4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 106094784
4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide
CID 106093906

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide (CID 106056840) is N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1sc(S(=O)(=O)NC(C)C2CCCCC2)cc1C.
What is the InChIKey of N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is ZLKKXWXKFRMVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-11-9-15(20-14(11)10-16-3)21(18,19)17-12(2)13-7-5-4-6-8-13/h9,12-13,16-17H,4-8,10H2,1-3H3.
What are the key properties of N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106056840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).