5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide

C14H24N2O2S2 — CID 106063436

IUPAC5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCC(C)CC2C)sc1CN
InChIInChI=1S/C14H24N2O2S2/c1-9-4-5-12(10(2)6-9)16-20(17,18)14-7-11(3)13(8-15)19-14/h7,9-10,12,16H,4-6,8,15H2,1-3H3
InChIKeyBHNKLUDHMRJQPK-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.62
Rot. Bonds4

About 5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide

5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide (PubChem CID 106063436) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide
PubChem CID106063436
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCC(C)CC2C)sc1CN
InChIInChI=1S/C14H24N2O2S2/c1-9-4-5-12(10(2)6-9)16-20(17,18)14-7-11(3)13(8-15)19-14/h7,9-10,12,16H,4-6,8,15H2,1-3H3
InChIKeyBHNKLUDHMRJQPK-UHFFFAOYSA-N
XLogP2.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106063403
5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
CID 106092484
5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide
CID 106067326
5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide
CID 63996239
N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
CID 106069035
5-(ethylaminomethyl)-4-methyl-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551969
5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide
CID 106063422
5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 114138862
5-(aminomethyl)-N-(2-cyclopropylpropyl)-4-methylthiophene-2-sulfonamide
CID 113476482
5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide
CID 106072242
N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106068843
5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63993731

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide (CID 106063436) is 5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC2CCC(C)CC2C)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is BHNKLUDHMRJQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-9-4-5-12(10(2)6-9)16-20(17,18)14-7-11(3)13(8-15)19-14/h7,9-10,12,16H,4-6,8,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide?
5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106063436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).