2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide

C13H20N2O2S2 — CID 102752653

IUPAC2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C13H20N2O2S2/c1-8-7-18-11(6-14)13(8)19(16,17)15-12(9-2-3-9)10-4-5-10/h7,9-10,12,15H,2-6,14H2,1H3
InChIKeyYGLMKIFPQJNDOF-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.98
Rot. Bonds6

About 2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide

2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide (PubChem CID 102752653) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide
PubChem CID102752653
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C13H20N2O2S2/c1-8-7-18-11(6-14)13(8)19(16,17)15-12(9-2-3-9)10-4-5-10/h7,9-10,12,15H,2-6,14H2,1H3
InChIKeyYGLMKIFPQJNDOF-UHFFFAOYSA-N
XLogP1.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide
CID 106061994
2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
CID 102751985
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide
CID 106068928
2-(aminomethyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088307
2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide
CID 106085015
2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 106091700
2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082660
2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide
CID 114112528
2-(aminomethyl)-N-[1-(furan-2-yl)propan-2-yl]-4-methylthiophene-3-sulfonamide
CID 102752632
2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide
CID 102752886
2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide
CID 106050717
2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide
CID 102752086

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide (CID 102752653) is 2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide is Cc1csc(CN)c1S(=O)(=O)NC(C1CC1)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is YGLMKIFPQJNDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-8-7-18-11(6-14)13(8)19(16,17)15-12(9-2-3-9)10-4-5-10/h7,9-10,12,15H,2-6,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide?
2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 300.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 102752653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).