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

C14H25N3O2S2 — CID 102753677

IUPAC1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2c(C)csc2CN)C1
InChIInChI=1S/C14H25N3O2S2/c1-4-16(5-2)12-6-7-17(9-12)21(18,19)14-11(3)10-20-13(14)8-15/h10,12H,4-9,15H2,1-3H3
InChIKeySDIOPWPQFUYGBB-UHFFFAOYSA-N
MW331.51 g/mol
LogP1.62
Rot. Bonds6

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

1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-diethylpyrrolidin-3-amine (PubChem CID 102753677) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-diethylpyrrolidin-3-amine
PubChem CID102753677
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2c(C)csc2CN)C1
InChIInChI=1S/C14H25N3O2S2/c1-4-16(5-2)12-6-7-17(9-12)21(18,19)14-11(3)10-20-13(14)8-15/h10,12H,4-9,15H2,1-3H3
InChIKeySDIOPWPQFUYGBB-UHFFFAOYSA-N
XLogP1.62
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-diethylpyrrolidin-3-amine (CID 102753677) is 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(S(=O)(=O)c2c(C)csc2CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-diethylpyrrolidin-3-amine?
The InChIKey is SDIOPWPQFUYGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-4-16(5-2)12-6-7-17(9-12)21(18,19)14-11(3)10-20-13(14)8-15/h10,12H,4-9,15H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-diethylpyrrolidin-3-amine?
1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-diethylpyrrolidin-3-amine has a molecular weight of 331.51 g/mol, XLogP of 1.62, 6 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-diethylpyrrolidin-3-amine is sourced from PubChem (CID 102753677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).