1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine

C10H14BrN3O2S — CID 103576433

IUPAC1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(S(=O)(=O)c2cncc(Br)c2)CC1N
InChIInChI=1S/C10H14BrN3O2S/c1-7-5-14(6-10(7)12)17(15,16)9-2-8(11)3-13-4-9/h2-4,7,10H,5-6,12H2,1H3
InChIKeyQPYGZKZIWBNDGG-UHFFFAOYSA-N
MW320.21 g/mol
LogP0.81
Rot. Bonds2

About 1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine

1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine (PubChem CID 103576433) has the molecular formula C10H14BrN3O2S and a molecular weight of 320.21 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine
PubChem CID103576433
Molecular FormulaC10H14BrN3O2S
Molecular Weight320.21 g/mol
Exact Mass319.00
IUPAC Name1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(S(=O)(=O)c2cncc(Br)c2)CC1N
InChIInChI=1S/C10H14BrN3O2S/c1-7-5-14(6-10(7)12)17(15,16)9-2-8(11)3-13-4-9/h2-4,7,10H,5-6,12H2,1H3
InChIKeyQPYGZKZIWBNDGG-UHFFFAOYSA-N
XLogP0.81
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine (CID 103576433) is 1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine is CC1CN(S(=O)(=O)c2cncc(Br)c2)CC1N.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine?
The InChIKey is QPYGZKZIWBNDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S/c1-7-5-14(6-10(7)12)17(15,16)9-2-8(11)3-13-4-9/h2-4,7,10H,5-6,12H2,1H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine?
1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine has a molecular weight of 320.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103576433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).