N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide

C15H26N2O2S2 — CID 106068843

IUPACN-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NC2CC(C)CC(C)C2)cc1C
InChIInChI=1S/C15H26N2O2S2/c1-10-5-11(2)7-13(6-10)17-21(18,19)15-8-12(3)14(20-15)9-16-4/h8,10-11,13,16-17H,5-7,9H2,1-4H3
InChIKeyZLAIOFLNWNIFPL-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.88
Rot. Bonds5

About N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide

N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106068843) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106068843
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NC2CC(C)CC(C)C2)cc1C
InChIInChI=1S/C15H26N2O2S2/c1-10-5-11(2)7-13(6-10)17-21(18,19)15-8-12(3)14(20-15)9-16-4/h8,10-11,13,16-17H,5-7,9H2,1-4H3
InChIKeyZLAIOFLNWNIFPL-UHFFFAOYSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide
CID 106093906
N-(2,4-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106063403
5-(ethylaminomethyl)-4-methyl-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551969
N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056840
5-(ethylaminomethyl)-4-methyl-N-(3-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 106092143
5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106025123
4-methyl-5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-2-sulfonamide
CID 106092072
4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079604
4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 106094784
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106094042
5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide
CID 106063436
4-methyl-5-(methylaminomethyl)-N-(3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 114141439

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide (CID 106068843) is N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1sc(S(=O)(=O)NC2CC(C)CC(C)C2)cc1C.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is ZLAIOFLNWNIFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-10-5-11(2)7-13(6-10)17-21(18,19)15-8-12(3)14(20-15)9-16-4/h8,10-11,13,16-17H,5-7,9H2,1-4H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide?
N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106068843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).