2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide

C12H20N2O2S3 — CID 106090624

IUPAC2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2c(C)csc2CN)CCC1
InChIInChI=1S/C12H20N2O2S3/c1-9-7-18-10(6-13)11(9)19(15,16)14-8-12(17-2)4-3-5-12/h7,14H,3-6,8,13H2,1-2H3
InChIKeyOVVBRRABYQCRGH-UHFFFAOYSA-N
MW320.51 g/mol
LogP2.08
Rot. Bonds6

About 2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide

2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide (PubChem CID 106090624) has the molecular formula C12H20N2O2S3 and a molecular weight of 320.51 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
PubChem CID106090624
Molecular FormulaC12H20N2O2S3
Molecular Weight320.51 g/mol
Exact Mass320.07
IUPAC Name2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2c(C)csc2CN)CCC1
InChIInChI=1S/C12H20N2O2S3/c1-9-7-18-10(6-13)11(9)19(15,16)14-8-12(17-2)4-3-5-12/h7,14H,3-6,8,13H2,1-2H3
InChIKeyOVVBRRABYQCRGH-UHFFFAOYSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

5-(aminomethyl)-2,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106090652
4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106090565
2-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-benzothiophene-3-sulfonamide
CID 106093158
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide
CID 106068928
5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090614
2-(aminomethyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088307
2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 102750058
2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide
CID 102752086
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106087081
2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 106091700
5-(aminomethyl)-3-fluoro-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106090613
5-(ethylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090699

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide (CID 106090624) is 2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide is CSC1(CNS(=O)(=O)c2c(C)csc2CN)CCC1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide?
The InChIKey is OVVBRRABYQCRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S3/c1-9-7-18-10(6-13)11(9)19(15,16)14-8-12(17-2)4-3-5-12/h7,14H,3-6,8,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide?
2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide has a molecular weight of 320.51 g/mol, XLogP of 2.08, 6 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-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106090624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).