2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide

C14H24N2O2S2 — CID 106068928

IUPAC2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)NC1CCC(C)(C)CC1
InChIInChI=1S/C14H24N2O2S2/c1-10-9-19-12(8-15)13(10)20(17,18)16-11-4-6-14(2,3)7-5-11/h9,11,16H,4-8,15H2,1-3H3
InChIKeyPCPARWUTQMHWTF-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.76
Rot. Bonds4

About 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide

2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide (PubChem CID 106068928) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide
PubChem CID106068928
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)NC1CCC(C)(C)CC1
InChIInChI=1S/C14H24N2O2S2/c1-10-9-19-12(8-15)13(10)20(17,18)16-11-4-6-14(2,3)7-5-11/h9,11,16H,4-8,15H2,1-3H3
InChIKeyPCPARWUTQMHWTF-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102754394
N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749752
2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide
CID 102752653
2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 106091700
2-(aminomethyl)-4-methyl-N-(3-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 102754843
2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide
CID 114112528
2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide
CID 106061994
N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751897
2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090624
N-(2,2-dimethylcyclopentyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070986
2-(aminomethyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088307
2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide
CID 102752086

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide (CID 106068928) is 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide is Cc1csc(CN)c1S(=O)(=O)NC1CCC(C)(C)CC1.
What is the InChIKey of 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is PCPARWUTQMHWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-10-9-19-12(8-15)13(10)20(17,18)16-11-4-6-14(2,3)7-5-11/h9,11,16H,4-8,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide?
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106068928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).