1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine

C9H13BrN2O2S — CID 114982995

IUPAC1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1ncccc1Br
InChIInChI=1S/C9H13BrN2O2S/c1-15(13,14)6-4-8(11)9-7(10)3-2-5-12-9/h2-3,5,8H,4,6,11H2,1H3
InChIKeyKUOQDQFSQNLTRP-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.28
Rot. Bonds4

About 1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine

1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine (PubChem CID 114982995) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine
PubChem CID114982995
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC Name1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1ncccc1Br
InChIInChI=1S/C9H13BrN2O2S/c1-15(13,14)6-4-8(11)9-7(10)3-2-5-12-9/h2-3,5,8H,4,6,11H2,1H3
InChIKeyKUOQDQFSQNLTRP-UHFFFAOYSA-N
XLogP1.28
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-bromo-2-pyridinyl)butan-1-amine
CID 103694350
1-(3-bromo-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 114982999
1-(3-bromo-2-pyridinyl)propan-1-amine
CID 112693253
1-isoquinolin-1-yl-3-methylsulfonylpropan-1-amine
CID 63950264
1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine
CID 63192413
3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 62602759
1-(3-bromo-2-pyridinyl)-4-ethylsulfonylbutan-1-ol
CID 113398312
N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 62603574
3-bromo-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 79864976
1-(2-bromo-5-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 115848720
3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine
CID 63198435
1-(2-bromophenyl)sulfanyl-4-methylsulfonylbutan-2-amine
CID 66143092

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine (CID 114982995) is 1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine is CS(=O)(=O)CCC(N)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine?
The InChIKey is KUOQDQFSQNLTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c1-15(13,14)6-4-8(11)9-7(10)3-2-5-12-9/h2-3,5,8H,4,6,11H2,1H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine?
1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine has a molecular weight of 293.19 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 114982995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).