3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine

C12H17BrN2S — CID 124679598

IUPAC3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine
SMILESCCS[C@@H]1CCC[C@H]1Nc1ccncc1Br
InChIInChI=1S/C12H17BrN2S/c1-2-16-12-5-3-4-11(12)15-10-6-7-14-8-9(10)13/h6-8,11-12H,2-5H2,1H3,(H,14,15)/t11-,12-/m1/s1
InChIKeyHPEAAZIHQAZVMS-VXGBXAGGSA-N
MW301.25 g/mol
LogP3.93
Rot. Bonds4

About 3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine

3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine (PubChem CID 124679598) has the molecular formula C12H17BrN2S and a molecular weight of 301.25 g/mol. Its IUPAC name is 3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine
PubChem CID124679598
Molecular FormulaC12H17BrN2S
Molecular Weight301.25 g/mol
Exact Mass300.03
IUPAC Name3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine
SMILESCCS[C@@H]1CCC[C@H]1Nc1ccncc1Br
InChIInChI=1S/C12H17BrN2S/c1-2-16-12-5-3-4-11(12)15-10-6-7-14-8-9(10)13/h6-8,11-12H,2-5H2,1H3,(H,14,15)/t11-,12-/m1/s1
InChIKeyHPEAAZIHQAZVMS-VXGBXAGGSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114121663
3-bromo-N-(2-methylpiperidin-3-yl)pyridin-4-amine
CID 114695454
1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea
CID 75506436
1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine
CID 114121302
5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 114122167
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine
CID 104776939
3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine
CID 114121308
N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103725083
N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine
CID 130909438
6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 133357230
2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine
CID 103804841

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine?
The IUPAC name of 3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine (CID 124679598) is 3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine?
The canonical SMILES for 3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine is CCS[C@@H]1CCC[C@H]1Nc1ccncc1Br.
What is the InChIKey of 3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine?
The InChIKey is HPEAAZIHQAZVMS-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H17BrN2S/c1-2-16-12-5-3-4-11(12)15-10-6-7-14-8-9(10)13/h6-8,11-12H,2-5H2,1H3,(H,14,15)/t11-,12-/m1/s1.
What are the key properties of 3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine?
3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine has a molecular weight of 301.25 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine is sourced from PubChem (CID 124679598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).