1-(4-aminothiophen-2-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine

C12H21N3O2S2 — CID 55158196

IUPAC1-(4-aminothiophen-2-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cc(N)cs2)C1
InChIInChI=1S/C12H21N3O2S2/c1-3-14(4-2)11-5-6-15(8-11)19(16,17)12-7-10(13)9-18-12/h7,9,11H,3-6,8,13H2,1-2H3
InChIKeyPRDARGUBZYHPTP-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.44
Rot. Bonds5

About 1-(4-aminothiophen-2-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine

1-(4-aminothiophen-2-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine (PubChem CID 55158196) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(4-aminothiophen-2-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-aminothiophen-2-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine
PubChem CID55158196
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name1-(4-aminothiophen-2-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cc(N)cs2)C1
InChIInChI=1S/C12H21N3O2S2/c1-3-14(4-2)11-5-6-15(8-11)19(16,17)12-7-10(13)9-18-12/h7,9,11H,3-6,8,13H2,1-2H3
InChIKeyPRDARGUBZYHPTP-UHFFFAOYSA-N
XLogP1.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminothiophen-2-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(4-aminothiophen-2-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine (CID 55158196) is 1-(4-aminothiophen-2-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-aminothiophen-2-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-aminothiophen-2-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(S(=O)(=O)c2cc(N)cs2)C1.
What is the InChIKey of 1-(4-aminothiophen-2-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The InChIKey is PRDARGUBZYHPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-3-14(4-2)11-5-6-15(8-11)19(16,17)12-7-10(13)9-18-12/h7,9,11H,3-6,8,13H2,1-2H3.
What are the key properties of 1-(4-aminothiophen-2-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
1-(4-aminothiophen-2-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine has a molecular weight of 303.45 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminothiophen-2-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 55158196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).