5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyridin-2-amine

C11H16BrN3O2S — CID 71910568

IUPAC5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyridin-2-amine
SMILESCS(=O)(=O)N1CCC[C@@H]1CNc1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3O2S/c1-18(16,17)15-6-2-3-10(15)8-14-11-5-4-9(12)7-13-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyDSSPUZHIMXLUFR-SNVBAGLBSA-N
MW334.24 g/mol
LogP1.68
Rot. Bonds4

About 5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyridin-2-amine

5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyridin-2-amine (PubChem CID 71910568) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is 5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyridin-2-amine
PubChem CID71910568
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC Name5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyridin-2-amine
SMILESCS(=O)(=O)N1CCC[C@@H]1CNc1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3O2S/c1-18(16,17)15-6-2-3-10(15)8-14-11-5-4-9(12)7-13-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyDSSPUZHIMXLUFR-SNVBAGLBSA-N
XLogP1.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
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CID 13298529
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CID 1741689
1-[2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethyl]-3-(5-bromo-2-pyridinyl)thiourea
CID 44356563
1-(5-Bromo-2-pyridyl)-3-(2-pyrrolidin-1-ylethyl)thiourea
CID 3002122
5-Bromo-N-methylpyridin-2-amine
CID 15645663
2-N-(3-Aminopropyl)-amino-5-bromopyridine
CID 10728144
5-bromo-N-ethylpyridin-2-amine
CID 22504916
1-(5-Bromo-2-pyridyl)-3-[2-(2-methyl-1-piperidyl)ethyl]thiourea
CID 3002935
N-(5-bromopyridin-2-yl)ethanesulfonamide
CID 726086
N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 790872
5-Bromo-N-(propan-2-yl)pyridin-2-amine
CID 29551250

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyridin-2-amine (CID 71910568) is 5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyridin-2-amine is CS(=O)(=O)N1CCC[C@@H]1CNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyridin-2-amine?
The InChIKey is DSSPUZHIMXLUFR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c1-18(16,17)15-6-2-3-10(15)8-14-11-5-4-9(12)7-13-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of 5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyridin-2-amine?
5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyridin-2-amine has a molecular weight of 334.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 71910568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).