2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide

C12H20N2O2S2 — CID 114112528

IUPAC2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide
SMILESCCCC1CC1NS(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C12H20N2O2S2/c1-3-4-9-5-10(9)14-18(15,16)12-8(2)7-17-11(12)6-13/h7,9-10,14H,3-6,13H2,1-2H3
InChIKeyLZEOXCYGNHCXJK-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.98
Rot. Bonds6

About 2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide

2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide (PubChem CID 114112528) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide
PubChem CID114112528
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide
SMILESCCCC1CC1NS(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C12H20N2O2S2/c1-3-4-9-5-10(9)14-18(15,16)12-8(2)7-17-11(12)6-13/h7,9-10,14H,3-6,13H2,1-2H3
InChIKeyLZEOXCYGNHCXJK-UHFFFAOYSA-N
XLogP1.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 106091700
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide
CID 106068928
2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide
CID 102752653
2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
CID 102751985
2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide
CID 106061994
2-(aminomethyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088307
2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082660
N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749752
2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide
CID 102752086
2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090624
2-(aminomethyl)-4-methyl-N-(3-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 102754843
2-(aminomethyl)-4-methyl-N-(2,4,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056068

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide (CID 114112528) is 2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide is CCCC1CC1NS(=O)(=O)c1c(C)csc1CN.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide?
The InChIKey is LZEOXCYGNHCXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-3-4-9-5-10(9)14-18(15,16)12-8(2)7-17-11(12)6-13/h7,9-10,14H,3-6,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide?
2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide has a molecular weight of 288.44 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)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114112528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).