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

C12H20N2O2S3 — CID 106091700

IUPAC2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
SMILESCSC1CCCC1NS(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C12H20N2O2S3/c1-8-7-18-11(6-13)12(8)19(15,16)14-9-4-3-5-10(9)17-2/h7,9-10,14H,3-6,13H2,1-2H3
InChIKeyWNKPTGOHYMQQOF-UHFFFAOYSA-N
MW320.51 g/mol
LogP2.08
Rot. Bonds5

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

2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide (PubChem CID 106091700) has the molecular formula C12H20N2O2S3 and a molecular weight of 320.51 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
PubChem CID106091700
Molecular FormulaC12H20N2O2S3
Molecular Weight320.51 g/mol
Exact Mass320.07
IUPAC Name2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
SMILESCSC1CCCC1NS(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C12H20N2O2S3/c1-8-7-18-11(6-13)12(8)19(15,16)14-9-4-3-5-10(9)17-2/h7,9-10,14H,3-6,13H2,1-2H3
InChIKeyWNKPTGOHYMQQOF-UHFFFAOYSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 106091673
N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 106002341
2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide
CID 114112528
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide
CID 106068928
5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091811
2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide
CID 102752653
N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106060252
2-(aminomethyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088307
5-(aminomethyl)-2-methyl-N-(2-methylsulfanylcyclopentyl)furan-3-sulfonamide
CID 106091691
2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090624
5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 103739668
2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylthiophene-3-sulfonamide
CID 106061994

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide (CID 106091700) is 2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide is CSC1CCCC1NS(=O)(=O)c1c(C)csc1CN.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide?
The InChIKey is WNKPTGOHYMQQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S3/c1-8-7-18-11(6-13)12(8)19(15,16)14-9-4-3-5-10(9)17-2/h7,9-10,14H,3-6,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide?
2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide has a molecular weight of 320.51 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106091700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).