1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine

C10H15BrN2O2S2 — CID 115275624

IUPAC1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine
SMILESCC1(C)CC(N)CN1S(=O)(=O)c1cc(Br)cs1
InChIInChI=1S/C10H15BrN2O2S2/c1-10(2)4-8(12)5-13(10)17(14,15)9-3-7(11)6-16-9/h3,6,8H,4-5,12H2,1-2H3
InChIKeyZQTQKKJUPYLVNJ-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.01
Rot. Bonds2

About 1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine

1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine (PubChem CID 115275624) has the molecular formula C10H15BrN2O2S2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine
PubChem CID115275624
Molecular FormulaC10H15BrN2O2S2
Molecular Weight339.28 g/mol
Exact Mass337.98
IUPAC Name1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine
SMILESCC1(C)CC(N)CN1S(=O)(=O)c1cc(Br)cs1
InChIInChI=1S/C10H15BrN2O2S2/c1-10(2)4-8(12)5-13(10)17(14,15)9-3-7(11)6-16-9/h3,6,8H,4-5,12H2,1-2H3
InChIKeyZQTQKKJUPYLVNJ-UHFFFAOYSA-N
XLogP2.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine (CID 115275624) is 1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine is CC1(C)CC(N)CN1S(=O)(=O)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine?
The InChIKey is ZQTQKKJUPYLVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S2/c1-10(2)4-8(12)5-13(10)17(14,15)9-3-7(11)6-16-9/h3,6,8H,4-5,12H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine?
1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine has a molecular weight of 339.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)sulfonyl-5,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 115275624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).