[(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide

C11H16BrN3O2S — CID 146149046

IUPAC[(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide
SMILESNS(=O)(=O)C[C@@H]1CC[C@H](Nc2cc(Br)ccn2)C1
InChIInChI=1S/C11H16BrN3O2S/c12-9-3-4-14-11(6-9)15-10-2-1-8(5-10)7-18(13,16)17/h3-4,6,8,10H,1-2,5,7H2,(H,14,15)(H2,13,16,17)/t8-,10+/m1/s1
InChIKeyGKNBMMACUROMCH-SCZZXKLOSA-N
MW334.24 g/mol
LogP1.71
Rot. Bonds4

About [(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide

[(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide (PubChem CID 146149046) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is [(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound Name[(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide
PubChem CID146149046
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC Name[(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide
SMILESNS(=O)(=O)C[C@@H]1CC[C@H](Nc2cc(Br)ccn2)C1
InChIInChI=1S/C11H16BrN3O2S/c12-9-3-4-14-11(6-9)15-10-2-1-8(5-10)7-18(13,16)17/h3-4,6,8,10H,1-2,5,7H2,(H,14,15)(H2,13,16,17)/t8-,10+/m1/s1
InChIKeyGKNBMMACUROMCH-SCZZXKLOSA-N
XLogP1.71
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide
CID 146105507
[(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide
CID 146142764
4-bromo-N-(oxan-3-yl)pyridin-2-amine
CID 130608088
2,5-dibromo-N-(3-ethylcyclopentyl)aniline
CID 64501925
2-N-(3-methylcyclopentyl)pyridine-2,4-diamine
CID 114543200
N-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine
CID 130608087
methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate
CID 114075042
[4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide
CID 158306742
4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
CID 124886630
1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine
CID 178076459
N-(4-bromo-2-pyridinyl)-2-cyclobutylacetamide
CID 102674085
N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide
CID 102820673

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide?
The IUPAC name of [(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide (CID 146149046) is [(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide.
What is the SMILES notation for [(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide?
The canonical SMILES for [(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide is NS(=O)(=O)C[C@@H]1CC[C@H](Nc2cc(Br)ccn2)C1.
What is the InChIKey of [(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide?
The InChIKey is GKNBMMACUROMCH-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c12-9-3-4-14-11(6-9)15-10-2-1-8(5-10)7-18(13,16)17/h3-4,6,8,10H,1-2,5,7H2,(H,14,15)(H2,13,16,17)/t8-,10+/m1/s1.
What are the key properties of [(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide?
[(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide has a molecular weight of 334.24 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 146149046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).