5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine

C9H11BrN2O2S — CID 158819540

IUPAC5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine
SMILESNc1ncc(Br)cc1S(=O)(=O)CC1CC1
InChIInChI=1S/C9H11BrN2O2S/c10-7-3-8(9(11)12-4-7)15(13,14)5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,11,12)
InChIKeyVLAGLWKWRRLVRE-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.61
Rot. Bonds3

About 5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine

5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine (PubChem CID 158819540) has the molecular formula C9H11BrN2O2S and a molecular weight of 291.17 g/mol. Its IUPAC name is 5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine
PubChem CID158819540
Molecular FormulaC9H11BrN2O2S
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC Name5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine
SMILESNc1ncc(Br)cc1S(=O)(=O)CC1CC1
InChIInChI=1S/C9H11BrN2O2S/c10-7-3-8(9(11)12-4-7)15(13,14)5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,11,12)
InChIKeyVLAGLWKWRRLVRE-UHFFFAOYSA-N
XLogP1.61
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide
CID 63994409
2-amino-5-bromopyridine-3-sulfonyl chloride
CID 53302026
2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 103838013
2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 62147179
5-bromo-3-[(2,4-difluorophenyl)methylsulfonyl]pyridin-2-amine
CID 158204803
5-bromo-3-(2-phenylethylsulfonyl)pyridin-2-amine
CID 158819543
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 64583956
5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine
CID 86652368
5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine
CID 104968716
2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62147918
5-[[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 123879064
[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol
CID 62152381

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine (CID 158819540) is 5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine is Nc1ncc(Br)cc1S(=O)(=O)CC1CC1.
What is the InChIKey of 5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine?
The InChIKey is VLAGLWKWRRLVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2S/c10-7-3-8(9(11)12-4-7)15(13,14)5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,11,12).
What are the key properties of 5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine?
5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine has a molecular weight of 291.17 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine is sourced from PubChem (CID 158819540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).