1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine

C12H21N3O2S2 — CID 102753667

IUPAC1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine
SMILESCc1csc(CN)c1S(=O)(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C12H21N3O2S2/c1-9-8-18-11(6-13)12(9)19(16,17)15-5-4-10(7-15)14(2)3/h8,10H,4-7,13H2,1-3H3
InChIKeyXTVOKSWGVMKKCJ-UHFFFAOYSA-N
MW303.45 g/mol
LogP0.84
Rot. Bonds4

About 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine

1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine (PubChem CID 102753667) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine
PubChem CID102753667
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine
SMILESCc1csc(CN)c1S(=O)(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C12H21N3O2S2/c1-9-8-18-11(6-13)12(9)19(16,17)15-5-4-10(7-15)14(2)3/h8,10H,4-7,13H2,1-3H3
InChIKeyXTVOKSWGVMKKCJ-UHFFFAOYSA-N
XLogP0.84
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 102753677
[3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol
CID 102750121
1-[2-(chloromethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpiperidin-4-amine
CID 102750419
[3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine
CID 102753326
[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine
CID 102751773
[4-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylthiophen-2-yl]methanamine
CID 102755178
[3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine
CID 102755001
[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylthiophen-2-yl]methanamine
CID 102751045
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102754394
N-[[4-methyl-3-(3-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102754750
1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 103171174
2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082660

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine (CID 102753667) is 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine is Cc1csc(CN)c1S(=O)(=O)N1CCC(N(C)C)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is XTVOKSWGVMKKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-9-8-18-11(6-13)12(9)19(16,17)15-5-4-10(7-15)14(2)3/h8,10H,4-7,13H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine?
1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 303.45 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 102753667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).